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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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172180 75476370 1 NO5C18H27 AB5C18D27 -213.43 5.5 -9.63 0.05 0
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172181 75476371 1 SN3O3C15H15 AB3C3D15E15 -34.64 5.41 -8.91 -1.4 0
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172182 75476372 1 SN2F3O3C13H17 AB2C3D3E13F17 -251.42 4.5 -9.49 -0.5 0
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172183 75476386 1 ClFNSO2C16H23 ABCDE2F16G23 -144.08 7.21 -9.47 -0.52 0
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172184 75476396 1 O2N3C20H29 A2B3C20D29 -74.11 5.27 -8.74 0.12 0
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172185 75476617 2 FON2C8H10 ABC2D8E10 -131.41 3.98 -8.95 -0.38 0
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172186 75476666 1 FN2S2O3C12H13 AB2C2D3E12F13 -116.42 4.9 -8.91 -0.69 0
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172187 75476667 1 FSN2O4C13H15 ABC2D4E13F15 -137.54 3.07 -9.71 -0.7 0
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172188 75476668 1 FNS2O5H8C11 ABC2D5E8F11 -108.3 6.48 -10.19 -1.62 0
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172189 75476669 1 BrON3C14H16 ABC3D14E16 2.67 6.83 -8.8 -0.7 0
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172190 75476767 1 F2O2N4H14C15 A2B2C4D14E15 -112.78 3.92 -9.84 -0.59 0
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172191 75476931 1 BrFNO3C14H15 ABCD3E14F15 -123.76 0.33 -9.8 -1.12 0
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172192 75477147 1 SF2N2O2C15H18 AB2C2D2E15F18 -157.04 5.27 -8.54 -0.67 0
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172193 75477160 1 SO2N3C15H19 AB2C3D15E19 -50.15 2.69 -8.74 -0.92 0
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172194 75477161 1 OSN4C16H16 ABC4D16E16 58.4 1.92 -9.19 -0.67 0
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172195 75478022 1 SO2N4C17H18 AB2C4D17E18 4.82 4.29 -9.3 -0.72 0
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172196 75478208 1 N2O5C18H26 A2B5C18D26 -192.09 2.04 -9.1 -0.2 0
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172197 75478209 1 ClSN3O5C12H16 ABC3D5E12F16 -180.91 7.5 -9.2 -0.62 0
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172198 75478870 1 SO2N5H17C19 AB2C5D17E19 44.05 4.05 -8.76 -1.32 0
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172199 75478903 1 ClNSF2O6C14H20 ABCD2E6F14G20 -343.0 4.25 -9.47 -0.74 0
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172200 75479067 2 ON2C11H12 AB2C11D12 -13.65 3.11 -8.67 -0.56 0
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172201 75479232 1 SO3N4C16H20 AB3C4D16E20 -73.28 5.16 -9.77 -0.23 0
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172202 75479281 1 O2N4C19H24 A2B4C19D24 -24.33 4.55 -8.79 0.25 0
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172203 75479464 1 ON6C18H20 AB6C18D20 72.82 2.76 -8.98 -1.17 0
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172204 75479503 1 FO2N3H20C21 AB2C3D20E21 -77.93 4.5 -8.61 -0.37 0
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172205 75479553 2 ON3C7H8 AB3C7D8 22.22 3.31 -9.31 -1.24 0
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172206 75479627 1 FO2N3C18H20 AB2C3D18E20 -95.72 4.69 -9.11 -0.36 0
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172207 75479679 1 FN2O2C18H19 AB2C2D18E19 -83.16 2.41 -8.78 0.03 0
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172208 75479686 1 OSF3N3H10C12 ABC3D3E10F12 -118.53 2.38 -9.83 -1.25 0
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172209 75479975 1 FSO3N4C18H21 ABC3D4E18F21 -122.17 6.78 -8.22 -0.82 0
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172210 75479976 1 O3N4C19H20 A3B4C19D20 -36.99 2.7 -8.84 -1.01 0
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172211 75479977 1 O2N3C19H23 A2B3C19D23 -62.55 7.93 -9.24 -0.74 0
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172212 75480363 1 N2O3H12C16 A2B3C12D16 24.97 7.86 -9.61 -1.5 0
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172213 75480512 1 ClNOC10H14 ABCD10E14 -67.56 4.22 -9.26 -0.31 0
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172214 75480850 1 NSO2C10H13 ABC2D10E13 -66.78 4.03 -9.25 -0.57 0
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172215 75481003 1 N2O3H10C11 A2B3C10D11 -26.91 6.46 -9.44 -1.71 1
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172216 75481004 1 N2O3C11H11 A2B3C11D11 -34.2 4.01 0.0 0.0 0
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172217 75481005 2 NOC7H14 ABC7D14 -146.7 0.88 -8.94 0.95 0
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172218 75481326 1 NSO4C12H21 ABC4D12E21 -214.87 3.87 -9.54 -0.43 0
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172219 75481504 1 ClSN2O6H7C9 ABC2D6E7F9 -133.99 10.12 -10.55 -2.01 0
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172220 75481505 1 ClFON2C10H12 ABCD2E10F12 -81.64 1.91 -9.23 -0.51 0
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172221 75481506 1 ClSO2C3N3H4 ABC2D3E3F4 -23.07 2.47 -11.41 -1.53 0
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172222 75481507 1 N3C8H9 A3B8C9 66.12 2.05 -8.18 0.65 0
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172223 75481508 1 BrNOC10H14 ABCD10E14 -42.89 3.2 -8.4 -0.04 0
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172224 75481509 1 NO6C13H15 AB6C13D15 -225.17 4.3 -8.88 -0.52 0
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172225 75481559 1 ClNOF3C8H15 ABCD3E8F15 -268.95 4.87 -9.5 1.69 0
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172226 75481930 1 O2N3C16H21 A2B3C16D21 -66.52 8.22 -9.38 -0.96 0
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172227 75481931 1 OSN3C15H17 ABC3D15E17 14.86 1.57 -8.56 -0.12 0
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172228 75482265 2 ON2C7H8 AB2C7D8 55.22 6.96 -9.21 -1.66 0
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172229 75482266 2 ON2C6H6 AB2C6D6 74.01 8.96 -9.23 -1.66 0