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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379152 134354951 1 ON8C25H34 AB8C25D34 57.09 7.72 -8.66 -0.57 0
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379153 134354953 1 ON6C27H32 AB6C27D32 58.82 4.72 -9.08 -1.08 0
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379154 134354960 1 NO5C12H17 AB5C12D17 -179.4 4.24 -8.96 -0.67 0
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379155 134354961 1 ON7C24H27 AB7C24D27 106.03 6.01 -9.38 -1.36 0
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379156 134354981 1 F2O2N4H18C19 A2B2C4D18E19 -62.71 4.11 -9.72 -1.11 0
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379157 134355009 1 N3C12H19 A3B12C19 64.19 2.62 -9.24 -0.18 0
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379158 134355010 1 N4O7C10H14 A4B7C10D14 -246.56 8.49 -10.54 -1.32 0
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379159 134355020 1 SN2F3O4C15H15 AB2C3D4E15F15 -276.3 6.35 -9.71 -1.1 0
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379160 134355021 1 SN2O2F3C15H15 AB2C2D3E15F15 -193.78 1.62 -8.73 -0.84 0
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379161 134355031 1 N3C24H25 A3B24C25 94.91 3.44 -8.73 -0.43 0
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379162 134355043 1 N3H31C41 A3B31C41 306.35 2.03 -8.54 -1.13 0
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379163 134355088 1 O3C20H38 A3B20C38 -203.93 2.03 -9.69 1.04 0
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379164 134355348 1 FO2N6C26H27 AB2C6D26E27 -21.61 4.14 -8.9 -1.08 0
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379165 134355419 1 NC14H27 AB14C27 -31.11 2.72 -9.28 1.07 0
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379166 134355524 1 O10N13C36H69 A10B13C36D69 -488.49 10.76 -9.15 0.04 0
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379167 134356324 1 O3N9C20H21 A3B9C20D21 1.8 2.0 -8.36 -1.18 0
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379168 134356417 1 NO2C10H19 AB2C10D19 -126.47 2.82 -9.64 1.24 0
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379169 134356418 1 ON8C19H24 AB8C19D24 56.9 6.34 -8.28 -0.55 0
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379170 134356432 1 ClC12H19 AB12C19 -5.78 2.7 -8.91 0.34 0
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379171 134356441 2 ON4C11H12 AB4C11D12 13.38 7.48 -8.4 -0.88 0
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379172 134356446 1 N2F3O4C22H25 A2B3C4D22E25 -252.2 2.38 -9.24 -0.76 0
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379173 134356452 1 ON7C25H25 AB7C25D25 83.81 1.88 -8.26 -0.6 0
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379174 134356456 1 N2F3O5C24H33 A2B3C5D24E33 -366.66 2.73 -9.69 -0.99 0
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379175 134356465 1 SF2O5N8C33H40 AB2C5D8E33F40 -200.55 5.99 -9.1 -1.05 0
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379176 134356466 1 F3N3O3C20H22 A3B3C3D20E22 -197.68 5.03 -9.47 -1.32 0
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379177 134356467 1 FC11H23 AB11C23 -112.4 2.07 -10.97 3.3 0
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379178 134356471 1 N2F3O3C19H25 A2B3C3D19E25 -255.08 2.81 -9.52 -0.74 0
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379179 134356473 1 FN2O3C19H27 AB2C3D19E27 -163.16 4.65 -9.32 -0.28 0
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379180 134356475 1 F2N2O3C19H26 A2B2C3D19E26 -208.44 4.86 -9.42 -0.49 0
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379181 134356476 1 F2N2O3C19H26 A2B2C3D19E26 -210.42 3.0 -9.47 -0.64 0
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379182 134356486 1 F2O3N9C36H39 A2B3C9D36E39 12.8 1.48 -8.13 -0.92 0
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379183 134356487 1 F2N3O4C22H25 A2B3C4D22E25 -213.43 3.23 -9.12 -0.87 0
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379184 134356671 1 F3O3N4H25C26 A3B3C4D25E26 -187.71 6.21 -9.2 -1.02 0
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379185 134356680 1 NOC9H19 ABC9D19 -64.33 1.93 -8.88 2.33 0
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379186 134356683 2 N4C11H12 A4B11C12 137.02 1.03 -8.06 -1.12 0
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379187 134356690 1 FN2O3C19H27 AB2C3D19E27 -168.96 2.18 -9.45 -0.23 0
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379188 134356691 1 F2N3O4C22H25 A2B3C4D22E25 -213.55 3.3 -9.07 -0.65 0
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379189 134356696 1 NO3C10H15 AB3C10D15 -116.51 2.36 -9.34 0.22 0
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379190 134356697 1 NC15H27 AB15C27 -2.59 2.53 -8.33 0.81 0
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379191 134356700 1 ON2C10H20 AB2C10D20 -40.73 2.69 -9.25 0.82 1
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379192 134356704 1 O2N3H6C7 A2B3C6D7 18.08 5.28 0.0 0.0 0
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379193 134356706 1 BrClN3O4C18H25 ABC3D4E18F25 -191.41 4.78 -9.86 -1.24 0
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379194 134356707 1 FN2O5C19H27 AB2C5D19E27 -281.38 5.21 -9.94 -0.79 0
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379195 134356708 1 O4N6C19H32 A4B6C19D32 -140.97 11.34 -10.02 -0.35 0
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379196 134356711 1 ClFN3O4C18H25 ABC3D4E18F25 -227.83 3.69 -9.86 -1.32 0
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379197 134356714 1 NOC9H15 ABC9D15 -45.57 3.05 -8.82 0.59 0
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379198 134356715 1 F2O4N5C29H37 A2B4C5D29E37 -176.54 7.72 -8.34 -0.54 0
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379199 134356716 1 FON2C4H11 ABC2D4E11 -61.74 1.34 -9.53 1.42 0
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379200 134356717 1 N3O5C18H27 A3B5C18D27 -223.51 5.64 -9.93 -0.94 0
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379201 134356721 1 N2C11H14 A2B11C14 54.23 0.97 -8.18 0.36 0
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379202 134356725 1 N3O6C26H37 A3B6C26D37 -214.05 4.4 -9.65 -0.36 0
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379203 134356729 1 N2O5C15H24 A2B5C15D24 -181.0 5.78 -9.9 -0.28 0
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379204 134356733 1 SN2C7H10 AB2C7D10 24.96 2.12 -8.81 -0.13 0
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379205 134356737 1 FC11H23 AB11C23 -105.07 1.98 -10.82 3.16 0
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379206 134356751 1 BrN2O4C18H31 AB2C4D18E31 -228.14 2.7 -9.83 -0.99 0
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379207 134356754 1 SF2N9O10C44H63 AB2C9D10E44F63 -441.84 6.44 -9.05 -0.86 0
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379208 134356757 1 N2O3C12H24 A2B3C12D24 -180.75 4.59 -9.88 0.81 0
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379209 134356765 1 F2N5O5C25H29 A2B5C5D25E29 -206.11 4.58 -9.32 -0.86 1
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379210 134356772 1 F2S2N8O10C55H63 A2B2C8D10E55F63 -352.37 9.85 0.0 0.0 0
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379211 134356780 1 SN3O5C22H35 AB3C5D22E35 -232.01 5.31 -8.85 -0.58 1
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379212 134356781 1 N5O5C19H28 A5B5C19D28 -157.45 4.6 0.0 0.0 0
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379213 134356782 1 ClN3O5C21H30 AB3C5D21E30 -244.89 4.39 -9.18 -0.54 0
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379214 134356783 1 Cl2O4C11H12 A2B4C11D12 -129.38 0.55 -10.68 -0.8 0
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379215 134356790 1 NO6C25H43 AB6C25D43 -298.46 2.89 -8.28 0.14 0
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379216 134356791 1 O4N6C19H32 A4B6C19D32 -140.44 8.12 -9.94 -0.48 0
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379217 134356804 1 FO4N7C19H26 AB4C7D19E26 -129.86 5.01 -9.98 -1.4 0
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379218 134356809 1 FO4N7C19H26 AB4C7D19E26 -129.84 10.84 -10.08 -1.61 0
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379219 134356810 1 FO4N7C19H30 AB4C7D19E30 -164.51 6.43 -9.65 -0.97 0
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379220 134356817 1 BrSF2N5O7C33H44 ABC2D5E7F33G44 -359.91 7.35 -9.22 -1.4 0
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379221 134356833 1 S2N5F6O9H43C44 A2B5C6D9E43F44 -550.24 11.24 -8.65 -1.27 0
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379222 134356837 1 SN4O5H20C22 AB4C5D20E22 -68.1 9.08 -8.76 -0.85 0
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379223 134356843 1 N3O9C47H49 A3B9C47D49 -222.78 7.12 -8.53 -0.71 0
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379224 134356845 1 N5O9C55H59 A5B9C55D59 -222.49 6.45 -8.59 -0.85 0
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379225 134356847 1 NOC17H17 ABC17D17 27.82 2.45 -8.26 -0.45 0
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379226 134356848 1 SN2O5C23H24 AB2C5D23E24 -120.5 8.29 -8.35 -0.8 0
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379227 134356850 1 F6H16C17 A6B16C17 -297.14 3.24 -9.34 -0.59 0
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379228 134356853 1 ON2S3H12C17 AB2C3D12E17 90.4 5.88 -8.82 -1.55 0
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379229 134356858 1 N2O5C18H18 A2B5C18D18 -74.76 3.4 -9.28 -1.57 0
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379230 134356859 4 NO2H9C10 AB2C9D10 -140.84 1.44 -8.69 -1.12 0
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379231 134356860 1 NC11H25 AB11C25 -40.74 1.49 -8.45 2.95 0
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379232 134356870 1 ON5H23C28 AB5C23D28 110.34 3.05 -7.7 -1.13 0
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379233 134356873 1 NOSC6H11 ABCD6E11 46.99 2.94 -8.79 0.24 0
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379234 134356874 1 N5H25C27 A5B25C27 133.19 5.44 -8.6 -1.28 0
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379235 134356876 1 SN4H22C24 AB4C22D24 118.65 6.36 -8.08 -0.86 0
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379236 134356877 1 O3C26H48 A3B26C48 -188.11 3.87 -9.37 1.13 0
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379237 134356883 1 IN2C6H11 AB2C6D11 28.67 0.52 -8.8 -1.46 0
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379238 134356889 1 NOC10H15 ABC10D15 -21.3 3.46 -8.27 0.11 0
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379239 134356890 2 SN2H25C42 AB2C25D42 385.08 1.99 -8.05 -0.9 0
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379240 134356891 1 ClO6N9C38H60 AB6C9D38E60 -250.68 7.91 -8.7 -1.0 0
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379241 134356893 1 NO4C18H23 AB4C18D23 -172.84 2.43 -8.44 0.07 0
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379242 134356894 1 O3N6C20H26 A3B6C20D26 -52.84 2.68 -9.03 -0.78 0
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379243 134356898 1 ClN9O11C37H58 AB9C11D37E58 -454.37 3.63 -8.67 -0.84 0
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379244 134356899 1 SO2N4C10H16 AB2C4D10E16 -37.64 2.45 -8.84 -0.17 0
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379245 134356903 1 SN4C8H12 AB4C8D12 54.39 0.51 -8.9 -0.22 0
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379246 134356904 1 NOSC8H17 ABCD8E17 -55.35 1.77 -8.96 0.52 0
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379247 134356905 1 ClN9O11C34H58 AB9C11D34E58 -482.22 6.52 -8.95 -0.94 0
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379248 134356906 1 N2O6C13H30 A2B6C13D30 -302.85 4.34 -9.04 1.3 0
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379249 134356911 1 ON2S2H12C18 AB2C2D12E18 65.17 5.46 -8.3 -1.42 0
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379250 134356917 2 N4O4C23H29 A4B4C23D29 -236.07 7.78 -8.82 -1.13 0
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379251 134356918 1 O4N10C33H40 A4B10C33D40 -37.74 2.02 -8.82 -0.63 0