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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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296600 117585617 1 N5C14H23 A5B14C23 36.49 4.18 -8.59 0.3 0
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296601 117585635 1 ON4C13H22 AB4C13D22 -31.3 3.34 -8.6 0.32 0
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296602 117585642 1 ON5C13H17 AB5C13D17 12.44 3.45 -8.77 0.18 0
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296603 117585649 1 ON4C14H24 AB4C14D24 -42.1 2.69 -8.77 0.25 0
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296604 117585655 1 BrOSN4H11C12 ABCD4E11F12 43.42 2.98 -9.08 -0.94 0
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296605 117585656 1 ON5C12H13 AB5C12D13 32.46 4.75 -9.28 -0.22 0
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296606 117585658 1 BrOSN4H11C12 ABCD4E11F12 37.66 3.09 -9.12 -0.96 0
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296607 117585661 1 ON5C13H13 AB5C13D13 38.67 1.71 -9.35 -0.71 0
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296608 117585669 1 ON4C13H20 AB4C13D20 -15.78 2.85 -8.69 0.19 0
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296609 117585739 1 N5C12H21 A5B12C21 21.83 2.09 -8.75 0.4 0
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296610 117585744 1 N5C14H25 A5B14C25 6.81 1.55 -8.53 0.5 0
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296611 117585757 1 N5C14H27 A5B14C27 -10.25 1.78 -8.81 0.33 0
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296612 117585769 1 N5C11H21 A5B11C21 18.56 2.56 -8.58 0.43 0
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296613 117585772 1 N5C13H25 A5B13C25 8.48 2.6 -8.45 0.54 0
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296614 117585793 6 NC2H3 AB2C3 55.22 2.08 -8.01 0.39 0
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296615 117585814 1 N5C13H23 A5B13C23 21.72 2.61 -8.62 0.54 0
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296616 117585818 1 N5C14H27 A5B14C27 -4.74 2.57 -8.62 0.54 0
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296617 117585822 1 N5C14H27 A5B14C27 -5.27 2.97 -8.61 0.55 0
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296618 117585892 1 O2N5C12H15 A2B5C12D15 -24.18 3.84 -8.93 -0.04 0
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296619 117585954 1 ON5C13H23 AB5C13D23 -24.66 2.43 -8.68 0.24 0
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296620 117586038 1 ON4C13H22 AB4C13D22 -27.64 4.82 -8.76 0.28 0
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296621 117586040 1 ON5C13H19 AB5C13D19 -6.57 3.5 -9.03 0.11 0
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296622 117586041 1 ON5C13H19 AB5C13D19 -6.4 6.44 -8.78 0.36 0
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296623 117586043 1 ON4C13H22 AB4C13D22 -33.66 4.65 -8.88 0.3 0
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296624 117586057 1 ON4C14H26 AB4C14D26 -44.56 2.6 -8.55 0.46 0
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296625 117586067 1 O2N5C12H15 A2B5C12D15 -36.8 3.04 -8.32 -0.29 0
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296626 117586104 1 N5C11H17 A5B11C17 42.34 6.02 -8.94 0.11 0
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296627 117586107 1 N5C13H21 A5B13C21 31.99 6.32 -8.79 0.2 0
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296628 117586130 1 N6C13H18 A6B13C18 62.43 4.81 -8.33 0.43 0
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296629 117586131 1 N5C13H21 A5B13C21 33.31 2.73 -8.63 0.42 0
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296630 117586166 1 N5C14H25 A5B14C25 -0.93 2.71 -8.56 0.5 0
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296631 117586284 1 BrFSH4N4C7 ABCD4E4F7 63.09 5.57 -9.52 -1.58 0
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296632 117586312 1 SN4C6H12 AB4C6D12 53.06 7.72 -9.26 -0.88 0
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296633 117586366 1 OSN4C11H14 ABC4D11E14 46.76 9.54 -9.27 -0.83 0
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296634 117586384 1 SO2N5H9C10 AB2C5D9E10 30.55 8.15 -8.98 -1.29 0
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296635 117586443 1 SN4C6H10 AB4C6D10 78.62 7.92 -9.24 -0.92 0
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296636 117586505 1 OSN4C12H16 ABC4D12E16 37.13 8.44 -9.15 -0.99 0
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296637 117586511 1 ClOSN4C9H9 ABCD4E9F9 46.7 4.94 -9.44 -1.14 0
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296638 117586718 1 FOSN4C11H13 ABCD4E11F13 2.01 8.88 -8.98 -1.22 0
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296639 117586747 1 BrSN4C10H11 ABC4D10E11 85.11 3.77 -9.42 -1.32 0
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296640 117586756 1 OSN4C10H12 ABC4D10E12 53.73 6.77 -9.12 -1.01 0
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296641 117586882 1 SN2O3H8C11 AB2C3D8E11 -55.17 4.4 -9.27 -1.86 0
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296642 117586917 1 OF2N3H7C13 AB2C3D7E13 -35.13 2.77 -9.55 -1.89 0
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296643 117587006 1 ON3C13H17 AB3C13D17 5.28 6.77 -9.64 -1.37 0
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296644 117587016 1 ON3H15C16 AB3C15D16 43.58 5.17 -9.5 -1.4 0
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296645 117587075 1 N3O3H9C11 A3B3C9D11 -58.7 1.76 -8.71 -1.7 0
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296646 117587166 1 O2N3H9C12 A2B3C9D12 18.11 3.33 -8.85 -1.61 0
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296647 117587233 1 ON3H13C15 AB3C13D15 40.44 5.82 -9.59 -1.46 0
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296648 117587323 1 SN2O3C19H20 AB2C3D19E20 4.86 6.3 -9.06 -1.46 0
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296649 117587383 1 O3N6H12C16 A3B6C12D16 92.24 3.26 -9.89 -1.88 0
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296650 117587408 1 O3N6H14C17 A3B6C14D17 73.02 0.65 -9.61 -1.96 0
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296651 117587458 1 N3O3C21H23 A3B3C21D23 -45.22 6.54 -8.3 -0.88 0
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296652 117587474 1 ClSN2O3C17H21 ABC2D3E17F21 -110.6 7.1 -9.48 -0.86 0
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296653 117587483 1 N3O4C21H23 A3B4C21D23 -76.05 5.28 -8.84 -0.74 0
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296654 117587517 1 N2O3C20H20 A2B3C20D20 -58.82 5.12 -9.39 -0.58 0
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296655 117587518 1 N2O5C22H24 A2B5C22D24 -133.95 4.81 -8.37 -0.35 0
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296656 117587540 2 OC12H18 AB12C18 -117.17 1.98 -9.29 0.26 0
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296657 117587636 4 OCl2C3H6 AB2C3D6 -348.86 7.89 -10.72 -0.26 0
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296658 117587698 1 NOC12H13 ABC12D13 -19.1 3.69 -8.48 -0.24 0
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296659 117587776 1 NOCl2C4H5 ABC2D4E5 -49.34 2.11 -9.94 -0.47 0
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296660 117587848 1 ClNO4C8H10 ABC4D8E10 -184.72 5.86 -9.54 -1.08 0
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296661 117587883 1 ClN2O3C9H9 AB2C3D9E9 -114.99 6.42 -9.92 -1.2 0
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296662 117587884 1 ClNO5C10H12 ABC5D10E12 -226.02 4.58 -9.46 -1.25 0
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296663 117587981 1 BrON2H5C9 ABC2D5E9 62.18 4.89 -10.22 -2.21 0
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296664 117587986 1 ClNOC5F6H8 ABCD5E6F8 -412.59 3.21 -10.13 -0.5 0
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296665 117588007 1 ClNOF3C9H11 ABCD3E9F11 -223.05 3.01 -9.9 -0.4 0
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296666 117588044 1 SO2F3C8H11 AB2C3D8E11 -254.74 2.03 -10.08 -1.17 0
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296667 117588059 1 F3H3O3C5 A3B3C3D5 -246.56 3.8 -11.7 -1.0 0
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296668 117588062 1 NOF3C6H10 ABC3D6E10 -212.33 3.27 -9.91 0.26 0
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296669 117588066 1 BrN2O2C18H23 AB2C2D18E23 -85.09 7.32 -8.47 -0.22 0
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296670 117588070 1 ON3C16H23 AB3C16D23 -32.66 3.25 -8.87 -0.58 0
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296671 117588073 1 ON3C11H13 AB3C11D13 9.3 3.01 -8.74 -0.16 0
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296672 117588074 1 O2N3C13H19 A2B3C13D19 -64.35 4.6 -8.99 -1.0 0
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296673 117588078 1 ON3C11H15 AB3C11D15 -22.57 4.19 -9.13 -0.8 0
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296674 117588103 1 BrNOC11H14 ABCD11E14 -27.87 0.98 -9.5 -0.28 0
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296675 117588119 1 N3O4C16H23 A3B4C16D23 -175.03 2.08 -9.52 -1.3 0
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296676 117588142 1 SO3N5H11C17 AB3C5D11E17 24.91 5.93 -9.34 -2.0 0
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296677 117588209 2 ClON2C5H10 ABC2D5E10 -109.12 1.25 -9.64 -0.09 0
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296678 117588319 1 ClOS2N5H8C14 ABC2D5E8F14 102.78 7.28 -9.17 -1.84 0
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296679 117588346 1 BrOSN5H10C16 ABCD5E10F16 108.75 8.91 -9.13 -1.7 0
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296680 117588358 1 N3S3O5H21C23 A3B3C5D21E23 -87.47 6.69 -8.85 -1.72 0
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296681 117588384 1 BrSO3N4H9C13 ABC3D4E9F13 0.01 4.3 -9.54 -1.9 0
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296682 117588464 1 SN4O4H18C21 AB4C4D18E21 -18.72 5.22 -9.24 -1.68 0
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296683 117588467 1 SO4N5H23C24 AB4C5D23E24 -15.43 9.73 -9.04 -1.67 0
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296684 117588473 1 SO3N5H19C25 AB3C5D19E25 49.83 6.74 -9.08 -1.87 0
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296685 117588525 1 BrSO4N5H20C26 ABC4D5E20F26 17.31 5.03 -9.32 -1.82 0
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296686 117588601 1 N3O4C26H29 A3B4C26D29 -78.85 8.4 -8.05 -1.29 0
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296687 117588621 1 SO2N3H15C18 AB2C3D15E18 12.59 7.61 -8.94 -1.3 0
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296688 117588639 1 N2S4C25H26 A2B4C25D26 90.5 5.96 -8.1 -1.93 0
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296689 117588744 2 NOC12H12 ABC12D12 -19.66 5.55 -8.79 -1.22 0
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296690 117588794 2 NO2C8H8 AB2C8D8 2.79 5.89 -9.71 -1.74 1
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296691 117588848 1 NO2C21H30 AB2C21D30 -41.64 0.72 0.0 0.0 0
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296692 117588874 1 ClNO2C25H36 ABC2D25E36 -92.47 10.19 -8.38 0.11 1
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296693 117588885 1 ClNO2C25H35 ABC2D25E35 -72.15 1.46 0.0 0.0 0
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296694 117588889 1 BrSF2N3O3H12C14 ABC2D3E3F12G14 -117.36 7.78 -9.45 -1.3 0
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296695 117588942 1 SN2O4C21H22 AB2C4D21E22 -76.2 2.27 -8.85 -0.7 0
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296696 117588956 1 ClNSO5C11H24 ABCD5E11F24 -290.32 6.28 -10.04 0.48 0
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296697 117588957 1 KNS2O5C6H12 ABC2D5E6F12 -279.66 3.13 -9.03 0.66 0
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296698 117589016 1 SN2O3C11H20 AB2C3D11E20 -130.73 5.66 -9.32 0.68 0
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296699 117589042 1 ClSN2O2C17H25 ABC2D2E17F25 -59.8 4.35 -8.0 -0.44 0