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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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389686 134994443 1 SO3C9H16 AB3C9D16 -127.33 2.21 -9.21 -0.24 0
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389687 134994448 1 S2O3C12H14 A2B3C12D14 -48.54 3.2 -8.13 -0.07 0
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389688 134994451 1 TeO2Cl4C9H14 AB2C4D9E14 -177.88 4.07 -9.75 -2.52 0
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389689 134994453 1 NO5C12H17 AB5C12D17 -122.09 4.73 -9.66 -0.83 0
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389690 134994462 1 BrNOC10H18 ABCD10E18 -37.96 3.79 -9.18 -0.91 0
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389691 134994470 1 NO2C9H17 AB2C9D17 -61.73 4.52 -8.55 1.21 0
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389692 134994472 1 N2O5C9H10 A2B5C9D10 -67.85 4.6 -9.14 -0.63 0
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389693 134994486 1 OSC13H18 ABC13D18 -9.95 1.93 -9.1 -0.5 1
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389694 134994489 1 OSC6H13 ABC6D13 -58.87 0.97 0.0 0.0 0
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389695 134994496 1 OSC7H14 ABC7D14 -56.62 4.32 -8.13 1.06 0
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389696 134994497 1 NSC16H25 ABC16D25 -3.19 2.33 -8.4 0.14 0
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389697 134994500 1 ITeS2C7H15 ABC2D7E15 9.35 6.55 -7.92 -0.69 0
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389698 134994504 1 SN2O3C10H16 AB2C3D10E16 -80.62 4.13 -8.31 -0.78 0
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389699 134994512 1 NO4C12H15 AB4C12D15 -84.45 5.48 -9.97 -0.74 0
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389700 134994525 1 NOSC13H19 ABCD13E19 -10.11 6.26 -7.96 0.46 0
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389701 134994526 1 BrOSC10H21 ABCD10E21 -74.6 6.66 -8.27 0.13 0
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389702 134994541 1 NSC14H21 ABC14D21 24.43 5.68 -7.45 0.44 0
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389703 134994546 1 TeBr2C6H14 AB2C6D14 -39.81 6.21 -8.77 -1.89 0
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389704 134994547 1 BrTeC7H15 ABC7D15 -19.05 7.46 -7.82 -0.62 0
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389705 134994549 1 SC13H16 AB13C16 25.08 2.2 -8.9 -0.01 0
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389706 134994553 1 INO2C10H16 ABC2D10E16 -11.39 3.02 -9.86 -1.34 0
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389707 134994557 1 NC12H25 AB12C25 -36.94 1.17 -8.35 2.94 0
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389708 134994566 1 ClNSO3C9H14 ABCD3E9F14 -133.64 2.62 -9.01 -1.21 0
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389709 134994569 1 IOSC6H13 ABCD6E13 -35.05 5.19 -8.55 -0.86 0
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389710 134994570 1 NC13H17 AB13C17 52.32 1.98 -9.13 0.48 0
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389712 134994592 1 SN2O4C11H20 AB2C4D11E20 -110.92 4.98 -8.82 -0.56 0
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389713 134994599 1 NO3C9H15 AB3C9D15 -60.68 5.72 -10.34 -0.58 0
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389714 134994610 1 SC13H18 AB13C18 20.03 1.41 -8.62 0.37 0
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389715 134994612 1 NC12H25 AB12C25 -32.69 2.5 -9.13 1.59 0
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389716 134994616 1 NC14H25 AB14C25 -11.82 0.9 -8.67 1.17 0
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389717 134994622 1 SN2C9H12 AB2C9D12 74.2 2.66 -8.88 0.08 0
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389719 134994624 1 S2O4C7H10 A2B4C7D10 -183.39 8.06 -9.9 -2.01 0
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389720 134994711 1 ClN2O2C8H9 AB2C2D8E9 4.08 4.63 -10.39 -1.52 0
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389721 134994712 1 SN2C9H10 AB2C9D10 81.12 8.51 -8.1 0.02 0
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389722 134994718 1 OSCl4C7H10 ABC4D7E10 -72.18 3.51 -9.62 -1.34 0
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389723 134994730 1 PSSeC14H23 ABCD14E23 -10.17 5.37 -8.5 -0.61 0
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389724 134994740 1 SN2O2F3C10H11 AB2C2D3E10F11 -228.51 3.65 -9.31 -1.18 0
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389725 134994746 1 PS2O3C8H17 AB2C3D8E17 -227.01 3.8 -9.49 -0.76 0
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389726 134994747 1 PO2S2C12H23 AB2C2D12E23 -153.43 4.93 -9.08 -0.15 0
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389727 134994749 1 SiO3C13H22 AB3C13D22 -100.18 4.83 -8.58 0.5 0
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389728 134994769 1 OF2N5C9H13 AB2C5D9E13 -23.64 4.06 -9.98 -2.06 0
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389729 134994770 1 ON8C9H14 AB8C9D14 106.58 7.67 -9.03 -2.14 0
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389730 134994816 1 Li2N2H4O4C7 A2B2C4D4E7 -113.05 3.75 -9.56 -0.89 0
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389731 134994818 1 CrN2O5C9H10 AB2C5D9E10 -10.49 3.15 -7.48 0.19 0
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389732 134994823 1 N2Cl3O3H5C7 A2B3C3D5E7 -32.94 2.49 -9.45 -1.49 0
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389733 134994847 1 P3S3C7O11H17 A3B3C7D11E17 -716.12 4.12 -9.92 -1.05 0
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389734 134994859 1 O5N6C7H14 A5B6C7D14 16.93 3.33 -10.41 -1.76 0
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389735 134994860 1 BrON2C14H19 ABC2D14E19 2.99 3.3 -8.79 -0.44 0
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389736 134994861 1 SiN2F4C6H14 AB2C4D6E14 -67.69 5.01 -10.24 0.96 0
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389737 134994873 1 ClC13H17 AB13C17 2.17 2.17 -9.34 0.37 0
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389738 134994878 1 NC13H17 AB13C17 48.25 2.39 -8.03 0.65 0
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389739 134994909 1 ClNPO4C10H21 ABCD4E10F21 -248.86 6.41 -10.3 -0.09 0
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389740 134994910 1 N2O2C11H16 A2B2C11D16 5.23 0.42 -9.8 -0.64 0
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389741 134994919 1 O2C13H20 A2B13C20 -93.73 1.77 -9.1 0.57 0
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389742 134994945 2 BrSC5H11 ABC5D11 -16.57 11.42 -7.48 -0.33 0
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389743 134994953 1 O2N4C11H16 A2B4C11D16 -23.48 7.1 -9.14 -0.94 0
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389744 134994955 1 MoPH6O7C8 ABC6D7E8 -128.65 9.35 0.0 0.0 0
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389745 134994963 2 OC6H10 AB6C10 -48.14 3.05 -8.75 0.81 0
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389746 134994974 1 O2C11H14 A2B11C14 -17.31 4.26 -10.44 -0.49 0
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389747 134994980 1 IS2C9H11 AB2C9D11 51.63 2.1 -8.67 -1.21 0
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389748 134994986 1 NSO2C9H17 ABC2D9E17 -72.21 2.37 -8.8 -0.04 0
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389749 134994990 1 NaO2S2C4H9 AB2C2D4E9 -113.99 6.64 -7.67 0.38 0
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389750 134994994 1 N3C13H21 A3B13C21 39.43 2.08 -8.18 0.0 0
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389751 134995000 1 ON5C8H13 AB5C8D13 76.31 7.05 -9.83 -1.38 0
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389752 134995009 1 NPO2H30C31 ABC2D30E31 -18.39 4.76 -9.21 -0.11 0
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389753 134995012 2 OC7H12 AB7C12 -99.0 2.02 -10.53 0.92 0
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389754 134995013 1 O3C10H16 A3B10C16 -124.72 3.68 -10.22 0.77 0
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389755 134995015 1 SiO2C10H16 AB2C10D16 -85.8 1.63 -9.46 -0.32 0
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389756 134995025 1 O2C11H20 A2B11C20 -136.42 3.56 -10.09 2.08 0
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389757 134995031 1 NOF2C6H11 ABC2D6E11 -76.52 4.24 -10.16 0.98 0
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389758 134995032 1 ON3H9C10 AB3C9D10 78.95 0.9 -8.07 -0.67 0
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389759 134995033 1 O2N5C10H15 A2B5C10D15 13.88 5.44 -9.31 -1.49 0
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389760 134995062 1 C13H16 A13B16 26.69 0.45 -8.84 0.7 0
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389761 134995067 2 C9H10 A9B10 132.96 1.47 -8.92 0.07 0
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389762 134995068 1 NC8H13 AB8C13 53.94 3.11 -8.16 0.58 0
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389763 134995074 2 NSO3C4H8 ABC3D4E8 -250.74 7.03 -9.07 -0.48 0
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389764 134995089 2 OC2H3 AB2C3 -65.72 0.55 -8.63 0.13 0
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389765 134995094 2 C5H8 A5B8 5.56 0.52 -9.2 1.47 0
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389766 134995111 1 SSiO3C13H26 ABC3D13E26 -186.85 7.58 -8.82 -0.41 0
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389767 134995115 1 ON2F4C6H12 AB2C4D6E12 -84.54 2.13 -10.5 0.45 0
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389768 134995116 1 P2C9H22 A2B9C22 -49.93 3.16 -8.86 3.01 0
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389769 134995124 2 C7H10 A7B10 1.42 0.55 -9.1 0.42 0
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389770 134995135 1 OC16H28 AB16C28 -39.68 2.85 -8.56 -0.04 0
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389771 134995150 1 PO5C11H21 AB5C11D21 -288.76 5.73 -9.09 0.48 0
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389772 134995152 1 BOS2F4C10H19 ABC2D4E10F19 -393.55 17.24 -9.71 -1.43 -1
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389773 134995160 1 C5N6O6H11 A5B6C6D11 35.09 4.16 0.0 0.0 0
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389774 134995163 1 PO2C8H17 AB2C8D17 -128.24 2.62 -9.15 0.91 0
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389775 134995165 1 BPC7H11 ABC7D11 66.76 1.61 0.0 0.0 0
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389776 134995169 1 O2C11H14 A2B11C14 -79.12 1.36 -9.57 0.17 0
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389777 134995171 1 FeO5C12H14 AB5C12D14 0.37 2.55 -6.5 0.02 0
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389778 134995172 1 O2C9H14 A2B9C14 -78.2 1.83 -9.51 0.06 0
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389779 134995174 1 SN2O3C9H16 AB2C3D9E16 -136.44 2.07 -9.12 -0.05 0
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389780 134995191 1 O2C17H30 A2B17C30 -109.74 0.71 -9.84 2.02 0
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389781 134995193 2 BrH5C8 AB5C8 128.34 2.94 -8.99 -1.39 0
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389782 134995195 1 C9H14 A9B14 29.24 0.61 -9.55 1.13 0
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389783 134995213 1 P2O4C5H14 A2B4C5D14 -199.3 4.3 -9.0 1.68 0
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389784 134995216 1 PWH6O7C8 ABC6D7E8 -147.85 3.06 0.0 0.0 -4
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389785 134995234 1 SN3P3C9H12O13 AB3C3D9E12F13 -529.14 5.77 -9.94 -2.46 0
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389786 134995235 5 C3H4 A3B4 -6.18 0.62 -8.15 0.4 0
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389787 134995239 1 SO2C9H10 AB2C9D10 -25.64 3.8 -9.6 0.09 0