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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
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54230 16955352 1 SN4O5C19H24 AB4C5D19E24 -141.19 4.33 -8.36 -0.81 0
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54231 16955353 1 ClSO3N4C22H23 ABC3D4E22F23 -24.29 5.96 -8.36 -0.74 0
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54232 16955354 1 FSO3N4C22H23 ABC3D4E22F23 -64.76 6.23 -8.33 -0.8 0
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54233 16955356 1 SN4O5C21H22 AB4C5D21E22 -88.4 4.15 -8.2 -0.83 0
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54234 16955361 1 SN3O3C16H21 AB3C3D16E21 -68.5 4.55 -8.25 -0.74 0
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54235 16955363 1 SN3O3C16H21 AB3C3D16E21 -71.37 6.98 -8.32 -0.75 0
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54236 16955366 1 SN3O3C15H17 AB3C3D15E17 -36.25 6.44 -8.36 -0.8 0
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54237 16955371 1 SN3O4C17H23 AB3C4D17E23 -107.02 3.39 -8.19 -0.83 0
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54238 16955372 1 SN3O5C16H21 AB3C5D16E21 -144.81 2.63 -8.19 -0.86 0
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54239 16955394 1 SN3O4C17H17 AB3C4D17E17 -59.43 6.98 -8.24 -0.86 0
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54240 16955396 1 SN3O3C20H21 AB3C3D20E21 -33.74 4.28 -8.17 -0.78 0
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54241 16956259 1 ClSO2N5H22C25 ABC2D5E22F25 43.01 12.09 -8.91 -1.75 0
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54242 16956266 1 ClSO2N6C29H29 ABC2D6E29F29 51.95 5.65 -8.8 -1.67 0
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54243 16956379 1 ClOF3N6H22C27 ABC3D6E22F27 -41.92 7.74 -8.29 -1.8 0
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54244 16956663 1 ClON4H19C21 ABC4D19E21 43.77 0.99 -8.3 -0.42 0
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54245 16956708 1 ClSN3O3H18C20 ABC3D3E18F20 -50.6 9.64 -8.59 -1.2 0
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54246 16956765 1 FNS3O4H12C15 ABC3D4E12F15 -127.27 5.29 -9.25 -1.65 0
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54247 16956767 1 NS2O4H17C19 AB2C4D17E19 -96.1 6.21 -8.51 -1.47 0
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54248 16956804 1 O2F3N3H18C21 A2B3C3D18E21 -144.65 3.85 -8.64 -1.45 0
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54249 16956949 1 ClO3N4H21C23 AB3C4D21E23 -36.87 5.58 -8.59 -1.0 0
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54250 16957123 1 Cl2O2N3H11C23 A2B2C3D11E23 56.43 5.32 -9.2 -1.77 0
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54251 16957193 1 Cl2O2N3C28H29 A2B2C3D28E29 -56.45 4.35 -9.29 -0.55 0
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54252 16957202 1 ClO2N3C29H32 AB2C3D29E32 -41.62 2.92 -8.87 -0.34 0
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54253 16957204 1 ClN3O3C30H34 AB3C3D30E34 -80.44 2.42 -8.58 -0.29 0
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54254 16957213 1 ClON2C15H23 ABC2D15E23 -44.99 4.17 -8.84 -0.08 0
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54255 16957223 1 FOSCl2N2H17C21 ABCD2E2F17G21 1.99 3.16 -8.7 -1.38 0
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54256 16957235 1 ClOSN3C19H20 ABCD3E19F20 40.54 4.15 -8.65 -1.13 0
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54257 16957236 1 ClSN2O2C18H19 ABC2D2E18F19 -35.21 2.13 -8.63 -1.15 0
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54258 16957239 1 ClSN3O3H20C22 ABC3D3E20F22 41.21 4.72 -8.59 -1.18 0
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54259 16957241 1 ClSN3O3H20C22 ABC3D3E20F22 37.78 5.0 -8.57 -1.82 0
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54260 16957243 1 SN3O3H21C22 AB3C3D21E22 59.23 6.79 -8.45 -1.62 0
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54261 16957244 1 ClSN3O3H20C22 ABC3D3E20F22 43.65 4.47 -8.45 -1.76 0
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54262 16957245 1 SN2O3C17H18 AB2C3D17E18 12.8 4.96 -8.35 -1.58 0
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54263 16957246 1 BrOSN2H21C22 ABCD2E21F22 61.79 4.77 -8.51 -1.08 0
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54264 16957247 1 BrFOSN2H18C21 ABCDE2F18G21 19.55 3.15 -8.64 -1.28 0
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54265 16957260 1 ClOSN2H21C22 ABCD2E21F22 44.53 5.13 -8.56 -1.13 0
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54266 16957267 1 BrSO2N3C15H16 ABC2D3E15F16 -14.31 5.8 -9.16 -1.11 0
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54267 16957269 1 SN3O4H21C22 AB3C4D21E22 -63.85 3.88 -8.09 -1.39 0
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54268 16957276 1 SO3N5C23H25 AB3C5D23E25 -24.64 5.68 -8.16 -1.25 0
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54269 16957281 1 SO3N4C24H26 AB3C4D24E26 -47.39 7.39 -8.87 -1.13 0
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54270 16957283 1 FSO3N4H21C22 ABC3D4E21F22 -81.27 9.14 -8.87 -1.33 0
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54271 16957304 1 OSF3N4C19H19 ABC3D4E19F19 -111.21 3.43 -9.05 -1.47 0
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54272 16957308 1 FOSN5C14H14 ABCD5E14F14 16.26 5.61 -9.04 -1.18 0
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54273 16957309 1 SO2N5C15H17 AB2C5D15E17 22.82 7.11 -8.81 -1.12 0
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54274 16957311 1 ClSO2N4C16H17 ABC2D4E16F17 6.49 5.2 -9.0 -1.25 0
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54275 16957321 1 SO3N4C17H20 AB3C4D17E20 -23.74 4.8 -8.85 -1.23 0
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54276 16957323 1 FOSN5H18C20 ABCD5E18F20 42.46 5.35 -8.78 -1.28 0
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54277 16957339 1 ON5H17C19 AB5C17D19 89.29 5.92 -8.97 -1.25 0
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54278 16957340 1 O3N4H18C20 A3B4C18D20 15.97 4.86 -9.05 -1.41 0
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54279 16957344 1 Cl2O2N5H13C14 A2B2C5D13E14 9.41 7.61 -8.97 -1.07 -1