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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193894 78451876 1 NC13H20 AB13C20 9.59 2.27 0.0 0.0 1
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193895 78451890 1 SN4C6H11 AB4C6D11 43.12 10.95 0.0 0.0 2
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193896 78451891 1 N2C7H18 A2B7C18 -3.79 1.9 -9.07 1.42 1
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193897 78451892 1 NOC13H20 ABC13D20 -26.8 1.5 0.0 0.0 0
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193898 78451962 1 F3N3O3H20C26 A3B3C3D20E26 -196.05 3.67 -9.49 -1.2 0
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193899 78451963 1 BrFN3O3H15C19 ABC3D3E15F19 -100.35 3.75 -9.62 -1.27 0
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193900 78452202 1 SO2N3C19H23 AB2C3D19E23 -54.83 4.67 -8.5 -0.76 0
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193901 78452203 1 SN3O3C23H23 AB3C3D23E23 -49.64 6.57 -8.54 -0.84 1
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193902 78452231 1 SN3O3C23H32 AB3C3D23E32 -77.19 8.57 0.0 0.0 0
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193903 78452642 1 NO2C13H17 AB2C13D17 -79.88 5.49 -9.47 0.29 -1
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193904 78453809 1 SN2O3H9C11 AB2C3D9E11 -0.2 4.64 0.0 0.0 -1
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193905 78454065 1 N3O6H20C24 A3B6C20D24 -0.26 14.79 0.0 0.0 0
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193906 78454191 1 O3N4C19H20 A3B4C19D20 -77.56 4.46 -8.73 -0.83 1
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193907 78454883 1 SN2O3C9H17 AB2C3D9E17 -113.14 3.31 0.0 0.0 0
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193908 78454908 1 SN2O3C9H16 AB2C3D9E16 -131.46 2.65 -9.01 -0.05 1
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193909 78455147 1 O3N4C22H31 A3B4C22D31 -73.1 2.93 0.0 0.0 1
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193910 78455149 1 O2N3C20H28 A2B3C20D28 -21.86 3.28 0.0 0.0 0
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193911 78455350 1 SN4O8C22H32 AB4C8D22E32 -311.84 8.22 -8.98 -0.01 0
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193912 78455356 1 SN4O7C23H34 AB4C7D23E34 -277.23 6.1 -8.99 -0.06 1
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193913 78455519 1 FSN2O4H14C18 ABC2D4E14F18 -110.32 3.56 0.0 0.0 0
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193914 78455878 1 S2N3O3C15H19 A2B3C3D15E19 -75.49 6.35 -9.18 -1.61 0
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193915 78456076 1 NO4H25C26 AB4C25D26 -57.64 6.93 -8.9 -1.29 0
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193916 78456077 1 NO4H23C26 AB4C23D26 -53.18 9.34 -8.65 -1.83 0
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193917 78456078 1 NO3C28H31 AB3C28D31 -77.03 8.72 -8.28 -1.21 0
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193918 78456142 1 N3O3C20H27 A3B3C20D27 -113.44 2.08 -9.46 0.19 0
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193919 78456143 1 N3O4C22H23 A3B4C22D23 -133.3 5.69 -9.21 -0.92 0
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193920 78456645 1 N2O4C25H26 A2B4C25D26 -126.77 11.24 -8.94 -0.52 0
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193921 78456646 1 N2O3C26H28 A2B3C26D28 -94.44 10.65 -8.95 -0.45 2
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193922 78456784 1 ClFON3C22H27 ABCD3E22F27 -28.05 4.52 -8.38 -0.6 1
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193923 78456785 1 ClN2O2C21H26 AB2C2D21E26 -13.28 5.8 0.0 0.0 2
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193924 78456786 1 ClFN2O3C22H28 ABC2D3E22F28 -124.98 3.26 -9.16 -0.55 1
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193925 78456802 1 ClSN3O3C15H21 ABC3D3E15F21 -88.17 2.98 0.0 0.0 0
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193926 78456814 1 NSO4C14H19 ABC4D14E19 -146.05 9.79 -9.08 -1.09 -1
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193927 78456909 1 O3N6C17H17 A3B6C17D17 44.09 6.35 0.0 0.0 0
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193928 78457084 1 SN3O3H21C23 AB3C3D21E23 -57.29 4.49 -8.74 -0.87 0
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193929 78457570 1 FO2N3C14H16 AB2C3D14E16 -116.17 2.99 -9.55 -0.27 0
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193930 78457788 1 SO2N3C17H23 AB2C3D17E23 -79.61 2.95 -9.44 -0.4 0
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193931 78457858 1 SO2N3C18H21 AB2C3D18E21 -45.33 5.89 -8.54 -1.28 0
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193932 78457859 1 SO2N3C18H21 AB2C3D18E21 -47.54 5.34 -8.58 -1.23 0
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193933 78458022 1 N4O4C19H22 A4B4C19D22 -75.84 2.55 -8.54 -0.24 0
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193934 78458262 1 SN3O6C18H19 AB3C6D18E19 -185.79 3.09 -8.43 -1.5 0
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193935 78458641 1 SN3O3H15C18 AB3C3D15E18 -16.98 5.96 -8.91 -1.43 0
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193936 78458752 1 O3N4C20H20 A3B4C20D20 -11.56 5.88 -8.99 -2.1 1
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193937 78458769 1 NO3C15H24 AB3C15D24 -94.15 5.27 0.0 0.0 1
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193938 78459090 1 O2N4C22H31 A2B4C22D31 -36.71 4.41 0.0 0.0 1
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193939 78459336 1 OS2N3C20H22 AB2C3D20E22 68.58 4.28 0.0 0.0 0
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193940 78459488 1 NO5C24H29 AB5C24D29 -194.23 3.68 -9.33 -0.47 1
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193941 78459489 1 FSN4O5C17H26 ABC4D5E17F26 -219.12 8.89 0.0 0.0 0
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193942 78459490 1 NO5C22H25 AB5C22D25 -179.4 4.88 -9.36 -0.48 1
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193943 78459491 1 FNO2C19H21 ABC2D19E21 -75.08 4.47 0.0 0.0 0