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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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389788 134995245 1 ClSN2O2C12H13 ABC2D2E12F13 -44.93 2.15 -8.4 -1.65 0
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389789 134995250 1 NO4C12H19 AB4C12D19 -169.67 2.02 -10.06 -0.24 0
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389790 134995252 1 PC17H27 AB17C27 -33.21 1.79 -8.19 0.55 0
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389791 134995257 2 O2C6H9 A2B6C9 -162.32 2.45 -9.02 0.32 0
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389792 134995258 1 OC16H26 AB16C26 -55.69 2.1 -9.21 1.32 0
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389793 134995269 1 PCl2O2C16H17 AB2C2D16E17 -84.54 6.46 -9.38 -0.84 0
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389794 134995274 1 OC10H18 AB10C18 -37.65 2.35 -10.06 1.67 0
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389795 134995275 2 OC6H10 AB6C10 -86.13 2.83 -10.06 -0.03 0
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389796 134995277 1 C15H26 A15B26 -10.54 0.29 -9.18 1.38 0
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389797 134995278 1 O3C12H20 A3B12C20 -120.47 3.37 -9.7 1.88 0
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389799 134995290 1 S3O6C7H12 A3B6C7D12 -256.36 7.76 -9.27 -2.0 0
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389800 134995291 1 SO2C7H14 AB2C7D14 -76.87 6.19 -8.51 0.07 0
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389801 134995292 1 BrOSC7H15 ABCD7E15 -54.8 4.37 -8.52 -0.11 0
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389802 134995296 1 N4C11H16 A4B11C16 67.25 2.0 -8.5 -0.34 0
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389803 134995306 1 ClOPSC9H12 ABCDE9F12 -84.96 3.54 -9.3 -0.44 0
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389805 134995326 8 C2H3 A2B3 35.23 0.17 -9.41 0.81 0
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389808 134995340 1 O2N3C6H13 A2B3C6D13 -36.85 4.49 -9.78 0.1 0
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389809 134995342 2 O2C3N3H4 A2B3C3D4 62.32 4.99 -11.13 -1.47 1
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389810 134995343 1 NPC3O3H11 ABC3D3E11 -172.01 7.32 0.0 0.0 0
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389811 134995344 2 C6H7 A6B7 97.71 0.06 -9.25 0.08 0
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389812 134995348 1 ClPO3C13H18 ABC3D13E18 -179.85 0.78 -9.29 -0.24 0
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389813 134995350 3 OC3H4 AB3C4 -99.14 5.6 -10.02 -0.38 0
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389814 134995351 1 PO3C11H13 AB3C11D13 -119.6 3.3 -9.98 -0.6 0
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389816 134995355 1 FH3C6 AB3C6 81.46 1.25 -10.14 -0.66 -1
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389817 134995376 1 SO3C9H13 AB3C9D13 -115.66 6.8 0.0 0.0 0