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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163165 57646681 1 FN3S3O4H16C19 AB3C3D4E16F19 -34.96 6.27 -8.35 -1.82 0
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163166 57646968 1 O2N5C18H21 A2B5C18D21 30.19 5.77 -9.05 -1.22 0
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163167 57647348 1 O2F3N4H17C18 A2B3C4D17E18 -137.45 3.73 -9.31 -1.46 0
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163169 57648317 2 NH34C40 AB34C40 211.75 2.72 -7.8 -0.44 0
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163171 57651320 1 N3O3F4H15C21 A3B3C4D15E21 -247.15 5.07 -9.95 -1.4 0
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163172 57653839 1 IrN3C13H16 AB3C13D16 173.13 20.89 -9.93 -4.47 0
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163173 57653863 2 F3H18C32 A3B18C32 -23.19 0.29 -8.79 -1.18 0
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163174 57653935 1 SiO6C7H18 AB6C7D18 -392.68 4.19 -9.89 1.33 1
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163177 57654004 1 S4N5O13C20H21 A4B5C13D20E21 -151.32 4.94 -8.82 -1.9 0
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163178 57654044 1 S4N5O14C20H21 A4B5C14D20E21 -319.85 9.04 -9.16 -2.16 0
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163179 57654088 1 N3S3O11C19H19 A3B3C11D19E19 -213.79 9.55 -9.08 -2.24 0
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163180 57654090 1 S3N4O11C18H18 A3B4C11D18E18 -319.28 8.89 -9.04 -2.13 0
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163181 57654120 1 S4N5H17O17C20 A4B5C17D17E20 -344.58 10.23 -9.4 -2.07 0
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163182 57654127 1 S2N4O9C18H20 A2B4C9D18E20 -169.41 7.7 -9.24 -2.12 0
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163183 57654141 1 S4N5O15H21C25 A4B5C15D21E25 -432.48 7.69 -9.26 -2.85 0
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163184 57654145 1 S6N10O18H34C37 A6B10C18D34E37 -244.97 4.91 -7.89 -2.56 0
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163185 57654174 1 ClS5N10O15H31C36 AB5C10D15E31F36 -115.24 7.71 -8.07 -2.65 0
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163186 57654180 1 S4N5O13C19H19 A4B5C13D19E19 -141.08 6.72 -9.06 -2.2 0
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163187 57654281 1 O2N5C18H23 A2B5C18D23 -23.84 6.3 -8.82 -0.37 0
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163188 57654298 1 BF3N4O10H46C47 AB3C4D10E46F47 -534.09 8.31 -8.29 -1.6 0
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163189 57654306 1 SN6O6C24H40 AB6C6D24E40 -274.03 5.54 -9.09 0.01 0
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163190 57654342 1 N3O5C28H41 A3B5C28D41 -225.99 7.1 -8.67 -0.36 0
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163191 57654413 1 RbSN5O8C35H48 ABC5D8E35F48 -290.81 28.13 -6.48 -1.44 2
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163192 57654450 1 NC9H13 AB9C13 50.88 3.04 -8.82 -0.24 0
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163193 57654455 1 O3N5C9H19 A3B5C9D19 -114.28 3.91 -9.34 1.01 0
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163194 57654503 2 N3H7C10 A3B7C10 180.86 2.56 -9.36 -1.52 0
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163195 57654515 1 Cl2N3H5C9 A2B3C5D9 77.59 3.91 -10.16 -1.71 0
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163196 57654738 2 ClO3C21H22 AB3C21D22 -220.72 3.6 -8.68 -2.05 0
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163197 57654739 1 N2O5C44H50 A2B5C44D50 -171.33 2.31 -8.09 -1.92 0
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163198 57654740 1 OC33H48 AB33C48 -86.9 1.77 -8.7 0.17 0
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163199 57654742 1 OF2C27H36 AB2C27D36 -150.18 2.44 -8.94 -0.23 0
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163200 57654743 1 SO5C58H66 AB5C58D66 -178.68 1.94 -8.48 -1.96 0
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163202 57654745 1 N2O5C65H76 A2B5C65D76 -173.19 5.34 -7.81 -1.5 0
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163203 57654746 2 NSO3C53H69 ABC3D53E69 -278.08 8.77 -7.88 -1.34 0
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163204 57654747 1 N2O5C44H50 A2B5C44D50 -161.45 2.46 -8.09 -1.98 0
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163205 57654750 1 H32C47 A32B47 206.21 0.45 -8.19 -1.01 0
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163206 57654751 5 H8C11 A8B11 257.61 1.49 -7.54 -1.08 0
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163207 57654759 1 NOH37C52 ABC37D52 166.62 3.9 -8.06 -0.7 0
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163208 57654765 1 H40C57 A40B57 220.95 0.44 -8.25 -0.99 0
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163209 57654767 1 BO2H29C32 AB2C29D32 -67.9 3.25 -8.12 -0.87 2
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163210 57654778 2 N2C33H35 A2B33C35 221.09 26.38 -4.59 -2.19 -2
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163211 57654825 2 SH2C3O3 AB2C3D3 -8.84 20.71 -9.35 -4.86 2
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163212 57654828 8 NOH10C12 ABC10D12 416.19 40.38 -5.39 -3.21 2
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163213 57654833 2 Cl2O2N3H33C38 A2B2C3D33E38 308.15 21.33 -6.31 -2.26 -2
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163214 57654849 2 SH3O3C5 AB3C3D5 -177.66 7.63 -9.53 -1.63 2
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163215 57654851 2 Cl2O2N3C31H31 A2B2C3D31E31 130.84 19.05 -5.98 -2.94 2
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163216 57654854 1 Br2O5N6H72C73 A2B5C6D72E73 232.45 15.49 -6.1 -2.48 2
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163217 57654858 2 ON2H30C35 AB2C30D35 278.22 41.79 -4.34 -2.61 0
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163218 57654893 2 C2P2H7 A2B2C7 -53.5 3.12 -8.2 1.66 2
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163219 57654903 2 N2H40C41 A2B40C41 292.54 32.79 -4.61 -2.35 2
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163220 57654904 1 OBr2Se2N4H54C64 AB2C2D4E54F64 297.68 24.45 -5.94 -2.78 1
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163221 57654916 1 BrO2N3H39C43 AB2C3D39E43 132.87 9.33 0.0 0.0 0
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163224 57654950 1 ClN2O3C16H17 AB2C3D16E17 -20.99 3.38 -9.26 -1.62 2
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163225 57654952 1 Br2O4N6C69H74 A2B4C6D69E74 171.28 29.27 -5.3 -2.9 2
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163226 57654953 4 BrN2O2C17H17 AB2C2D17E17 168.23 39.94 -5.47 -3.03 2
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163228 57654964 4 NH19C20 AB19C20 338.8 45.69 -4.34 -2.76 2
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163230 57654966 4 NOC18H18 ABC18D18 93.44 24.29 -5.04 -2.16 2
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163231 57654969 2 BrO2N3C31H32 AB2C3D31E32 166.44 22.32 -5.71 -2.72 2
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163233 57654976 1 SiO3C20H42 AB3C20D42 -268.12 5.53 -9.65 0.6 0
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163234 57654981 2 OSC4H9 ABC4D9 -124.15 4.39 -9.6 -0.72 0
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163236 57654988 1 NO5C10H13 AB5C10D13 -97.0 3.7 -9.67 -1.05 1
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163237 57654989 1 N2S4O6C13H31 A2B4C6D13E31 -283.16 8.35 0.0 0.0 0
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163239 57654995 2 OC15H16 AB15C16 233.85 5.55 -9.17 -1.2 0
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163240 57654996 1 KSN3O4C19H20 ABC3D4E19F20 -134.11 5.51 -8.12 0.03 0
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163241 57654997 1 O5C21H34 A5B21C34 -274.36 2.47 -9.84 0.6 0
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163242 57654999 1 O5C17H30 A5B17C30 -266.78 4.63 -9.95 0.58 0
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163243 57655002 1 O5C17H30 A5B17C30 -272.56 2.78 -9.88 0.62 0
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163246 57655012 1 OH8C9 AB8C9 70.92 3.32 -9.6 -0.25 0
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163247 57655016 1 O2C17H24 A2B17C24 -93.86 2.97 -9.33 0.38 0
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163248 57655020 1 N6O9C47H60 A6B9C47D60 -354.73 6.52 -9.85 -0.41 0
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163250 57655090 2 C37H39 A37B39 818.04 0.27 -8.67 0.26 0
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163251 57655093 1 SN3C17H33 AB3C17D33 -41.59 4.69 -8.48 0.55 0
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163253 57655097 1 NPC24H29 ABC24D29 60.7 8.97 0.0 0.0 0
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163254 57655101 1 N3O3C12H19 A3B3C12D19 -110.24 4.23 -9.18 -1.45 0
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163256 57660063 1 O3C11H22 A3B11C22 -154.55 3.32 -9.87 0.79 0
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163258 57661926 1 SO4H14C17 AB4C14D17 -108.71 5.61 -8.67 -1.8 0
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163259 57665363 1 S2N4O5C24H28 A2B4C5D24E28 -117.8 7.3 -9.36 -1.14 0
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163260 57665436 1 NO4C9H15 AB4C9D15 -182.06 6.42 -9.44 -0.11 0
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163261 57665675 1 SCl2N3O5C21H33 AB2C3D5E21F33 -255.38 4.98 -9.86 -1.1 0
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163263 57670983 1 SCl2N2O5H18C21 AB2C2D5E18F21 -108.2 2.64 -9.15 -1.15 0
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163264 57672303 1 N3O4C28H47 A3B4C28D47 -235.26 3.36 -9.22 0.26 0
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163265 57673749 1 SP3N7O18C30H48 AB3C7D18E30F48 -950.24 6.91 -9.24 -0.68 0
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163266 57675733 1 NOSiC23H35 ABCD23E35 -48.2 1.51 -8.16 0.04 0
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163267 57677783 1 NOC14H15 ABC14D15 4.35 3.2 -9.34 -0.82 0
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163268 57679376 1 O5N6C49H102 A5B6C49D102 -379.28 5.57 -8.82 1.06 0
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163269 57682024 1 SO2N4H20C23 AB2C4D20E23 23.5 8.39 -8.99 -1.0 0
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163270 57682237 1 O3C12H20 A3B12C20 -165.85 1.5 -10.07 0.58 0
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163271 57682327 1 FO2N3C20H26 AB2C3D20E26 -99.86 4.26 -8.79 -0.36 0
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163272 57682722 1 OF3N5C22H26 AB3C5D22E26 -154.84 5.14 -8.57 -1.02 0
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163273 57684132 1 N2H40C53 A2B40C53 212.72 1.29 -7.79 -0.52 0
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163275 57685421 1 ClINH7C8 ABCD7E8 30.39 1.53 -9.89 -1.09 0
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163276 57685457 1 FNSO3C17H20 ABCD3E17F20 -134.85 4.98 -8.95 -0.86 0
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163277 57686777 1 N2P2O3C5H13 A2B2C3D5E13 -115.86 2.68 0.0 0.0 0
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163279 57687780 1 NO2C14H21 AB2C14D21 -94.57 6.53 -8.3 -0.26 0
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163280 57690043 1 FO5N6C37H43 AB5C6D37E43 -199.24 5.13 -8.99 -1.38 0
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163281 57690660 1 ON5C23H25 AB5C23D25 42.74 2.69 -8.62 -0.74 0
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163282 57691661 1 FNOC13H20 ABCD13E20 -79.8 2.94 -8.55 0.2 0
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163283 57695782 1 PO9C48H73 AB9C48D73 -497.78 8.56 -7.95 -0.7 0
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163284 57697154 1 FNSSiO4C42H44 ABCDE4F42G44 -149.07 4.39 -8.56 -0.64 0
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163285 57697597 1 ON3C10H15 AB3C10D15 -5.34 3.23 -8.43 0.06 -1