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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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433801 135173943 1 ION2C13H27 ABC2D13E27 -48.06 3.93 -8.4 -2.48 0
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433802 135173944 1 INO6C17H26 ABC6D17E26 -207.3 1.85 -8.01 -1.42 0
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433803 135173945 1 N2O3C12H24 A2B3C12D24 -140.21 4.47 -8.84 1.02 0
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433804 135173946 2 OC8H15 AB8C15 -154.61 2.43 -10.2 1.14 0
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433805 135173947 2 O2C6H9 A2B6C9 -165.76 3.07 -10.66 -0.35 0
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433806 135173948 1 ON3C10H19 AB3C10D19 8.0 2.56 -8.54 0.81 0
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433807 135173949 1 SF3O3N8H21C24 AB3C3D8E21F24 -145.23 9.96 -8.85 -1.26 0
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433808 135173950 1 NO2C15H17 AB2C15D17 -37.57 4.36 -8.56 0.05 0
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433809 135173951 1 NO2C13H17 AB2C13D17 -49.94 2.2 -8.54 -0.21 0
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433810 135173952 1 NO2C17H25 AB2C17D25 -26.63 3.5 -8.91 -0.19 0
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433811 135173953 1 OF2N4C14H22 AB2C4D14E22 -107.06 5.65 -8.05 -0.02 0
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433812 135173954 1 NO5C17H37 AB5C17D37 -243.77 1.26 -8.93 1.28 0
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433813 135173955 1 SF3N6O13C47H47 AB3C6D13E47F47 -533.45 8.07 -8.91 -1.57 0
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433814 135173956 1 S2F3N8O10C54H61 A2B3C8D10E54F61 -440.31 4.7 -8.67 -0.89 0
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433815 135173957 1 N6O7C36H36 A6B7C36D36 -148.37 10.79 -8.96 -1.78 0
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433816 135173959 1 O2N3C13H29 A2B3C13D29 -94.29 3.82 -8.74 1.42 0
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433817 135173960 1 N5C14H15 A5B14C15 128.87 4.35 -8.5 -0.24 0
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433818 135173961 1 O2N5C22H33 A2B5C22D33 -23.66 4.63 -8.01 -0.01 0
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433819 135173962 1 SO5C13H22 AB5C13D22 -249.15 5.28 -10.69 -0.07 0
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433820 135173963 1 NO3C12H27 AB3C12D27 -165.76 3.34 -9.24 2.28 0
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433821 135173964 1 S2O8C21H36 A2B8C21D36 -400.72 3.09 -10.4 -0.05 0
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433822 135173965 1 IN3O3C13H26 AB3C3D13E26 -123.03 4.77 -8.36 -2.17 0
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433823 135173966 1 SF3O3N7C27H30 AB3C3D7E27F30 -156.99 6.71 -8.38 -1.1 0
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433824 135173967 2 NOC7H15 ABC7D15 -104.75 1.24 -8.78 1.14 0
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433825 135173968 1 NOC13H29 ABC13D29 -93.72 2.84 -8.93 2.22 0
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433826 135173969 1 NC14H29 AB14C29 -58.02 1.52 -8.42 3.02 0
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433827 135173970 1 SN2O2C20H26 AB2C2D20E26 -30.44 6.43 -9.31 -0.67 0
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433828 135173971 1 O3C17H18 A3B17C18 -70.67 3.95 -9.03 -0.26 0
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433829 135173972 1 NOC19H39 ABC19D39 -104.71 1.1 -8.77 2.12 0
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433830 135173973 1 ON2C15H28 AB2C15D28 -70.4 3.73 -8.42 2.33 0
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433831 135173974 1 ON4C12H20 AB4C12D20 9.04 3.28 -8.41 -0.36 0
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433832 135173975 1 I2N3C12H21 A2B3C12D21 24.79 1.15 -8.48 -1.46 0
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433833 135173976 1 ON3C20H41 AB3C20D41 -73.15 1.34 -8.42 2.46 0
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433834 135173977 1 SF2O2N3H23C24 AB2C2D3E23F24 -101.14 3.0 -8.65 -0.42 0
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433835 135173978 1 FSO3N6C30H31 ABC3D6E30F31 -60.77 6.84 -8.68 -1.07 0
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433836 135173979 1 FO4N6C30H37 AB4C6D30E37 -154.17 5.42 -8.29 -0.98 0
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433837 135173980 1 ClO4N5C23H26 AB4C5D23E26 -24.42 5.58 -8.9 -1.01 0
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433838 135173981 1 F3O3N4H19C31 A3B3C4D19E31 -102.96 4.58 -9.1 -1.25 0
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433839 135173982 1 NSH21C32 ABC21D32 145.24 2.38 -8.18 -0.47 0
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433840 135173983 1 O3N8H24C25 A3B8C24D25 -9.79 6.09 -8.18 -0.68 0
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433841 135173984 1 O2N8H24C25 A2B8C24D25 28.79 8.38 -8.37 -0.75 0
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433842 135173985 1 FSO4N6C23H23 ABC4D6E23F23 -125.1 6.08 -8.82 -1.17 0
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433843 135173986 1 ON2C12H26 AB2C12D26 -74.4 1.84 -8.01 2.28 0
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433844 135173987 1 N3C18H31 A3B18C31 -9.62 1.66 -8.11 0.18 0
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433845 135173988 1 ON2C15H22 AB2C15D22 -14.21 3.26 -8.86 0.34 0
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433846 135173989 1 FSO3N6C16H19 ABC3D6E16F19 -115.47 7.12 -8.82 -1.12 0
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433847 135173990 1 NOF2C10H21 ABC2D10E21 -187.66 3.48 -9.01 1.73 0
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433848 135173991 1 ClFO3N8C25H28 ABC3D8E25F28 -93.45 5.52 -8.64 -0.95 0
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433849 135173992 1 O3N7H21C24 A3B7C21D24 -11.03 10.38 -8.5 -1.02 0
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433850 135173993 1 O3N7C26H29 A3B7C26D29 -34.11 2.82 -8.1 -0.48 0
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433851 135173994 1 ON6C17H24 AB6C17D24 32.29 7.65 -8.13 0.24 0
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433852 135173995 1 ON6C16H20 AB6C16D20 46.51 2.99 -8.47 -0.2 0
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433853 135173996 1 FO2N8H21C23 AB2C8D21E23 -1.92 4.98 -8.58 -1.08 0
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433854 135173997 1 BrFON2C12H12 ABCD2E12F12 -32.99 3.32 -9.01 -0.71 0
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433855 135173998 1 FSO4N8H21C23 ABC4D8E21F23 -82.51 11.38 -8.67 -1.08 0
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433856 135173999 1 FSO2N8H21C23 ABC2D8E21F23 5.78 3.94 -8.31 -0.58 0
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433857 135174000 1 ClO2C7H15 AB2C7D15 -142.96 2.77 -10.72 0.7 0
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433859 135174002 1 ClNSO3C15H20 ABCD3E15F20 -86.73 6.63 -8.88 -0.49 0
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433860 135174003 1 ClNSO4C15H24 ABCD4E15F24 -171.8 8.04 -8.93 -0.74 0
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433861 135174004 1 ClNSO3C18H26 ABCD3E18F26 -116.31 4.12 -8.69 0.14 0
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433862 135174005 1 ClNSO3C12H18 ABCD3E12F18 -113.92 5.27 -9.01 -0.62 0
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433863 135174006 1 P3O12N19C77H88 A3B12C19D77E88 -306.63 5.87 -8.42 -0.79 0
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433864 135174007 1 ClNSO4C15H24 ABCD4E15F24 -182.78 7.45 -9.66 -0.36 0
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433865 135174008 1 PO4N8C21H27 AB4C8D21E27 -82.86 2.25 -8.95 -0.4 0
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433866 135174009 1 PO4N6C25H31 AB4C6D25E31 -111.85 1.53 -9.02 -0.47 0
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433867 135174010 1 ClPO4N6C24H28 ABC4D6E24F28 -111.93 2.93 -8.84 -0.29 0
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433868 135174011 1 NSO4C11H13 ABC4D11E13 -99.24 8.81 -9.12 -0.33 0
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433869 135174012 1 ClNSO5C15H20 ABCD5E15F20 -178.53 4.97 -9.58 -0.86 0
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433870 135174013 1 PSO4N6C22H27 ABC4D6E22F27 -99.27 5.67 -8.73 -0.24 0
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433871 135174014 1 SO2C7H14 AB2C7D14 -108.74 1.37 -8.91 0.31 0
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433872 135174015 1 O2N3C7H13 A2B3C7D13 -24.56 1.81 -9.85 0.08 0
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433873 135174016 1 FO3C8H15 AB3C8D15 -196.81 1.89 -9.9 1.49 0
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433874 135174017 1 O2C7H12 A2B7C12 -74.62 2.03 -9.6 0.68 0
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433875 135174018 1 Cl2N5O5C39H39 A2B5C5D39E39 -78.12 3.07 -8.12 -1.31 0
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433876 135174019 1 Cl2O5N6H30C34 A2B5C6D30E34 -77.62 6.71 -8.55 -1.1 0
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433877 135174020 1 ClSN2C13H13 ABC2D13E13 40.37 2.54 -9.13 -0.68 0
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433878 135174021 1 N3O8C32H39 A3B8C32D39 -283.6 8.45 -8.9 -0.44 0
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433879 135174022 1 NPO4F5H23C24 ABC4D5E23F24 -392.9 7.62 -9.33 -1.04 0
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433880 135174023 1 NO3C17H27 AB3C17D27 -159.36 2.45 -9.13 0.47 0
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433881 135174024 1 PN5O5C25H30 AB5C5D25E30 -156.48 2.28 -8.78 -0.2 0
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433882 135174025 1 NPO4C19H26 ABC4D19E26 -148.49 0.87 -9.18 0.07 1
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433883 135174026 1 PO4N5C15H19 AB4C5D15E19 -109.33 2.77 0.0 0.0 0
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433884 135174027 1 O3N7C38H41 A3B7C38D41 45.14 0.73 -8.24 -0.86 0
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433885 135174028 1 PO4N6C27H35 AB4C6D27E35 -134.91 5.43 -8.98 -0.42 0
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433886 135174029 1 ClO6N7C37H38 AB6C7D37E38 -113.26 6.82 -7.12 -1.58 0
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433887 135174030 1 PO4N6C26H33 AB4C6D26E33 -126.25 3.0 -8.98 -0.42 0
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433888 135174031 1 PO4N6C25H31 AB4C6D25E31 -117.26 6.9 -9.02 -0.63 0
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433889 135174033 1 PO4N6C25H31 AB4C6D25E31 -117.29 5.38 -9.09 -0.57 0
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433890 135174035 1 NPO4F5H21C23 ABC4D5E21F23 -383.84 2.57 -9.45 -1.16 0
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433891 135174038 1 SN2C19H20 AB2C19D20 101.4 2.87 -7.63 -0.69 0
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433892 135174039 1 ClNPO3C17H21 ABCD3E17F21 -160.83 7.02 -9.37 -0.26 0
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433893 135174040 1 PO3N6C23H31 AB3C6D23E31 -18.01 4.29 -8.21 0.0 0
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433894 135174041 1 FO2N7C36H38 AB2C7D36E38 -5.85 6.86 -8.22 -0.75 0
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433895 135174042 1 PO4N6C25H31 AB4C6D25E31 -115.3 3.86 -9.04 -0.48 0
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433896 135174043 1 SO2N6C37H40 AB2C6D37E40 20.8 6.13 -8.16 -0.83 0
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433897 135174044 1 O4N8C35H36 A4B8C35D36 5.2 4.56 -7.17 -1.63 0
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433898 135174045 1 FO2N6H29C32 AB2C6D29E32 22.52 5.74 -8.21 -1.05 0
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433899 135174046 1 ClON5H24C31 ABC5D24E31 117.35 3.21 -8.23 -1.13 0
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433900 135174047 1 O2N7C28H33 A2B7C28D33 -8.61 2.61 -8.39 -0.56 0
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433901 135174048 1 ClO3N5C24H26 AB3C5D24E26 -39.7 6.49 -8.58 -0.47 0