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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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54180 14745117 1 BrON2H25C28 ABC2D25E28 86.72 4.53 -7.91 -0.72 0
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54181 14745540 1 NO3C11H17 AB3C11D17 -139.62 4.15 -9.47 0.06 0
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54182 14746265 1 Cl4O7H12C24 A4B7C12D24 -227.96 7.03 -9.45 -1.7 0
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54183 14746360 1 OC16H16 AB16C16 37.5 2.8 -8.43 -0.6 0
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54184 14747239 2 SO4C17H27 AB4C17D27 -365.95 1.67 -9.51 -0.61 0
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54185 14747240 1 S2O8C35H40 A2B8C35D40 -257.21 7.93 -8.99 -0.35 0
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54186 14747241 1 S2O8C41H52 A2B8C41D52 -304.04 4.46 -8.53 -0.58 0
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54187 14747243 2 O2C14H17 A2B14C17 -122.84 1.12 -8.64 -0.29 0
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54188 14747246 4 OC9H14 AB9C14 -194.81 0.89 -9.19 0.39 0
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54189 14747249 1 CCoOSN2 ABCDE2 9.97 1.62 0.0 0.0 0
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54190 15047256 2 NO2S2H7C10 AB2C2D7E10 -38.54 0.3 -8.72 -2.29 0
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54191 15047275 1 NOC12H13 ABC12D13 -7.55 2.63 -8.77 -0.01 0
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54192 15047278 1 NOC13H15 ABC13D15 -12.32 2.59 -8.73 0.01 0
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54193 15047282 1 NOH15C16 ABC15D16 32.53 3.17 -9.48 -1.17 0
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54194 15047290 1 NOC17H19 ABC17D19 7.13 1.85 -8.86 -0.37 0
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54195 15047302 1 K2N3O4H5C7 A2B3C4D5E7 -241.27 10.57 -7.95 0.12 0
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54196 15047316 1 N4O4H14C17 A4B4C14D17 83.8 4.77 -9.18 -1.7 0
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54197 15047319 1 N2C19H20 A2B19C20 78.99 3.86 -8.01 -0.55 0
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54198 15047320 1 N2C21H24 A2B21C24 72.92 2.67 -8.12 -0.34 0
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54199 15047322 1 N2O2C19H20 A2B2C19D20 21.32 3.43 -7.8 -0.5 0
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54200 15047324 1 N2H20C25 A2B20C25 132.1 3.85 -8.15 -0.86 0
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54201 15047331 1 NCl2H9C11 AB2C9D11 32.47 2.64 -8.73 -0.59 1
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54202 15047345 1 NH14C17 AB14C17 83.21 0.68 0.0 0.0 0
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54203 15047357 1 INOC13H14 ABCD13E14 30.24 11.14 -7.4 -1.65 0
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54204 15047360 1 INC12H12 ABC12D12 56.95 5.04 -8.02 -0.8 0
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54205 15047362 1 INC13H14 ABC13D14 85.93 26.1 -6.06 -3.07 0
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54206 15047381 1 S5O9C51H56 A5B9C51D56 -170.11 4.97 -8.43 -1.41 0
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54207 15047385 1 NSO4C14H21 ABC4D14E21 -126.79 4.94 -8.86 -0.75 0
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54208 15047387 1 N2O2C19H24 A2B2C19D24 -63.91 5.88 -9.35 0.25 0
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54209 15047392 1 NOC12H15 ABC12D15 -21.05 0.99 -9.28 0.22 0
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54210 15047393 1 NO2C13H17 AB2C13D17 -65.08 1.23 -9.42 0.02 0
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54211 15047394 1 NO2C19H21 AB2C19D21 -38.02 1.6 -9.37 0.17 0
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54212 15047395 1 NO2C25H25 AB2C25D25 -10.68 1.59 -9.31 0.0 0
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54213 15047404 1 NOC13H15 ABC13D15 -3.45 1.98 -9.16 -0.32 0
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54214 15047410 1 NOC20H21 ABC20D21 22.17 1.02 -8.91 -0.25 0
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54215 15047415 1 BrN2O3C21H21 AB2C3D21E21 -56.37 4.19 -10.11 -1.01 1
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54216 15047416 1 BrN2O3C21H22 AB2C3D21E22 -48.05 5.28 0.0 0.0 0
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54217 15047423 1 NO6C21H21 AB6C21D21 -129.42 5.24 -9.51 -0.89 0
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54218 15047424 1 ClO3C21H21 AB3C21D21 -105.96 5.41 -9.45 -0.95 0
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54219 16953570 1 ClS2O3N4C16H17 AB2C3D4E16F17 -53.81 8.55 -9.16 -1.73 0
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54220 16954108 1 SO2N3H19C21 AB2C3D19E21 32.9 4.85 -8.37 -0.69 0
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54221 16954409 1 SN2O5C15H18 AB2C5D15E18 -184.24 7.2 -9.26 -0.88 0
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54222 16954628 1 SO3N5C28H31 AB3C5D28E31 -46.6 4.15 -8.92 -0.83 0
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54223 16955225 1 SO2F3N4H13C17 AB2C3D4E13F17 -147.46 3.64 -9.06 -1.22 0
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54224 16955262 1 O2S2F3N3H14C18 A2B2C3D3E14F18 -155.64 4.04 -8.9 -1.31 0
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54225 16955336 1 S2F3O4N6H15C21 A2B3C4D6E15F21 -187.56 10.8 -9.35 -1.59 0
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54226 16955338 1 F3S3O4N5H14C20 A3B3C4D5E14F20 -191.47 11.74 -8.63 -1.61 0
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54227 16955340 1 SF3O3N4H11C13 AB3C3D4E11F13 -224.3 6.58 -9.22 -1.33 0
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54228 16955344 1 SN3O3C18H23 AB3C3D18E23 -67.33 4.93 -8.18 -0.67 0
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54229 16955348 1 SN3O3C24H27 AB3C3D24E27 -41.01 6.67 -8.17 -0.72 0