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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133211 51494059 1 OSN5C17H19 ABC5D17E19 35.32 2.34 -8.69 -1.35 0
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133212 51494062 1 O2N5C23H23 A2B5C23D23 -13.98 1.47 -8.58 -0.79 0
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133213 51494063 1 ON4C19H20 AB4C19D20 20.28 3.81 -8.46 -0.84 0
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133214 51494478 1 N3O4C24H27 A3B4C24D27 -82.03 6.72 -8.4 -0.32 0
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133215 51494556 1 N3O3C20H27 A3B3C20D27 -128.98 4.84 -8.92 -0.44 0
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133216 51494763 1 SO3N5C20H23 AB3C5D20E23 -28.4 9.17 -8.51 -0.75 0
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133217 51495386 2 ON2C11H13 AB2C11D13 -3.51 6.31 -8.73 -0.31 1
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133218 51495518 1 FON3C20H27 ABC3D20E27 -22.52 3.49 0.0 0.0 1
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133219 51495519 1 SO2N3C23H24 AB2C3D23E24 47.88 6.39 0.0 0.0 1
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133220 51495537 1 ON5C16H18 AB5C16D18 84.98 4.51 0.0 0.0 0
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133221 51495630 1 N3O4H17C18 A3B4C17D18 -97.18 5.48 -9.26 -0.74 0
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133222 51495631 1 O2N4C17H18 A2B4C17D18 -34.05 3.43 -10.02 -0.85 0
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133223 51495715 1 SN2O3C18H24 AB2C3D18E24 -99.45 5.97 -9.02 -0.61 1
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133224 51495716 1 SN2O3C18H25 AB2C3D18E25 -91.96 6.42 0.0 0.0 0
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133225 51495717 1 SN2O3C18H24 AB2C3D18E24 -98.3 6.97 -9.01 -0.67 1
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133226 51495718 1 ON3C21H26 AB3C21D26 33.49 9.56 0.0 0.0 0
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133227 51495719 1 ON3C21H25 AB3C21D25 17.37 1.18 -8.79 -0.42 0
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133228 51495771 1 ON5C23H25 AB5C23D25 38.88 6.49 -8.93 -0.38 0
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133229 51495830 1 SN2O2C16H18 AB2C2D16E18 -47.93 5.05 -8.96 -1.17 0
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133230 51495977 1 ON4C20H30 AB4C20D30 -21.69 3.34 -8.67 -0.35 0
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133231 51495992 1 ClOSN4C17H17 ABCD4E17F17 44.84 6.26 -9.35 -1.5 0
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133232 51495993 1 ClOSN4C17H17 ABCD4E17F17 44.71 5.86 -9.29 -1.51 0
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133233 51496016 1 FO2N5H16C19 AB2C5D16E19 10.75 4.75 -9.08 -1.19 0
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133234 51496543 1 FO3N4C21H23 AB3C4D21E23 -103.09 5.68 -8.65 -0.68 0
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133235 51496544 1 O3N4C21H24 A3B4C21D24 -57.41 6.66 -8.57 -0.55 0
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133236 51496633 1 NO5C19H23 AB5C19D23 -150.61 3.67 -8.4 -0.14 1
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133237 51496710 1 NO4C25H28 AB4C25D28 -74.35 3.89 0.0 0.0 0
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133238 51496711 1 NO4C25H27 AB4C25D27 -88.57 2.55 -8.59 0.02 0
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133239 51496881 1 ON4H22C23 AB4C22D23 77.85 8.41 -8.84 -1.16 1
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133240 51496882 1 OF3N4H20C22 AB3C4D20E22 -88.07 6.91 0.0 0.0 1
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133241 51496883 1 OSN4C20H21 ABC4D20E21 72.91 5.02 0.0 0.0 0
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133242 51496884 1 OSN4C20H20 ABC4D20E20 83.77 8.35 -8.89 -1.26 0
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133243 51497000 1 ON3C19H27 AB3C19D27 -0.15 2.76 -8.47 0.35 1
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133244 51497001 1 ON3C19H28 AB3C19D28 13.91 3.99 0.0 0.0 0
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133245 51497228 1 N3O3C21H29 A3B3C21D29 -47.61 2.63 -8.23 -0.17 0
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133246 51497477 1 SO4N5C16H21 AB4C5D16E21 -105.18 4.89 -9.37 -0.98 0
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133247 51497478 1 N2S2O6C15H20 A2B2C6D15E20 -227.46 4.13 -8.62 -1.12 0
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133248 51497855 1 ClN2O2C16H17 AB2C2D16E17 -56.59 3.67 -9.28 -1.2 0
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133249 51497856 1 NO4C18H25 AB4C18D25 -175.74 4.53 -8.93 -0.27 0
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133250 51497857 1 NO4C18H25 AB4C18D25 -176.74 1.13 -8.88 -0.21 0
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133251 51497892 2 NOC11H12 ABC11D12 -55.28 4.16 -9.03 -0.5 0
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133252 51498421 1 N2S2O3C14H20 A2B2C3D14E20 -94.36 2.62 -9.24 -0.32 0
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133253 51498973 1 FN2O3C21H23 AB2C3D21E23 -143.33 2.39 -8.1 -0.45 0
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133254 51498974 1 FN2O3C21H23 AB2C3D21E23 -139.68 2.12 -8.26 -0.16 0
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133255 51498975 1 FN2O3C21H23 AB2C3D21E23 -143.25 5.3 -8.27 -0.41 0
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133256 51498989 1 N3O3C22H25 A3B3C22D25 -123.3 10.84 -7.99 -1.06 0
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133257 51498990 1 N3O3C22H25 A3B3C22D25 -122.84 7.89 -7.85 -0.94 0
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133258 51498991 1 O2N3C22H23 A2B3C22D23 -50.96 6.85 -8.03 -0.36 0
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133259 51498992 1 O2N3C22H23 A2B3C22D23 -51.52 7.7 -8.15 -0.46 0
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133260 51499842 1 SO3N4C18H26 AB3C4D18E26 -112.96 4.29 -8.99 -0.67 1
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133261 51500004 1 N2O2C22H35 A2B2C22D35 -76.61 4.91 0.0 0.0 1
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133262 51500202 1 O2N3C22H32 A2B3C22D32 -31.95 5.03 0.0 0.0 0
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133263 51500203 1 O2N3C22H31 A2B3C22D31 -39.65 4.6 -8.48 -0.11 0
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133264 51500205 1 O2N3C23H33 A2B3C23D33 -55.05 1.77 -8.36 -0.06 -1
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133265 51500659 1 SN4O4H19C27 AB4C4D19E27 76.84 6.55 0.0 0.0 -1
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133266 51500660 1 OSN4C18H19 ABC4D18E19 61.99 9.42 0.0 0.0 1
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133267 51500923 1 FN2O2C24H30 AB2C2D24E30 -100.6 2.68 0.0 0.0 1
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133268 51501165 1 N2O2C23H35 A2B2C23D35 -80.47 3.04 0.0 0.0 1
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133269 51501289 1 NO4C22H28 AB4C22D28 -107.14 4.2 0.0 0.0 0
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133270 51501308 1 NO4C22H27 AB4C22D27 -138.91 3.57 -8.54 0.14 1
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133271 51501889 1 N2O4C25H31 A2B4C25D31 -105.54 4.7 0.0 0.0 1
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133272 51502203 1 ClNO4C23H29 ABC4D23E29 -130.24 4.93 0.0 0.0 0
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133273 51502204 1 ClNO4C23H28 ABC4D23E28 -155.27 6.57 -8.8 -0.19 0
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133274 51502465 1 SO3N5C21H23 AB3C5D21E23 -2.32 6.24 -8.76 -0.47 -1
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133275 51502529 1 ClOSF2N3H11C16 ABCD2E3F11G16 -22.04 8.6 0.0 0.0 2
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133276 51502774 1 FO2N3C20H32 AB2C3D20E32 -99.7 9.64 -7.67 -0.73 1
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133277 51503253 1 N2O3C25H33 A2B3C25D33 -72.66 6.83 0.0 0.0 1
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133278 51503459 1 NO4C25H28 AB4C25D28 -99.2 2.82 0.0 0.0 0
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133279 51503540 1 N2O3C25H30 A2B3C25D30 -104.46 3.13 -8.34 0.08 0
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133280 51503642 1 NO5C23H29 AB5C23D29 -176.79 5.71 -8.24 0.02 1
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133281 51503643 1 NO5C23H30 AB5C23D30 -151.33 2.06 0.0 0.0 0
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133282 51503932 1 N3O4C18H25 A3B4C18D25 -148.44 4.73 -8.73 -0.04 0
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133283 51504064 1 O2N3C22H23 A2B3C22D23 -8.79 3.88 -8.69 -0.08 1
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133284 51504250 1 FNO3C23H29 ABC3D23E29 -125.13 3.98 0.0 0.0 0
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133285 51504251 1 FNO3C23H28 ABC3D23E28 -131.95 3.47 -7.99 -0.31 -1
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133286 51504367 1 SF2N4O4H17C20 AB2C4D4E17F20 -139.44 3.58 0.0 0.0 -1
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133287 51504368 1 ClSO3N4H18C20 ABC3D4E18F20 -1.19 3.14 0.0 0.0 -1
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133288 51504386 1 FSN4O4H18C24 ABC4D4E18F24 29.17 24.62 0.0 0.0 -1
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133289 51504564 1 ClN3O3C15H17 AB3C3D15E17 -96.37 5.79 0.0 0.0 1
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133290 51504849 1 O2N3C21H24 A2B3C21D24 23.3 2.17 0.0 0.0 1
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133291 51504850 1 N2O2C20H23 A2B2C20D23 9.37 2.92 0.0 0.0 1
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133292 51504851 1 NO4C20H24 AB4C20D24 -67.72 5.06 0.0 0.0 1
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133293 51504852 1 NO3C19H22 AB3C19D22 -36.19 2.46 0.0 0.0 1
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133294 51504859 1 Cl2N3C15H16 A2B3C15D16 75.73 5.63 0.0 0.0 0
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133295 51504887 1 N2O4C17H22 A2B4C17D22 -130.65 7.42 -9.19 -0.47 0
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133296 51504969 1 S2N3O4C19H23 A2B3C4D19E23 -104.8 6.71 -8.92 -0.97 -2
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133297 51505240 1 BrSN2O5H13C20 ABC2D5E13F20 -32.98 23.23 -7.67 -3.18 0
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133298 51505376 1 SN3O3C27H29 AB3C3D27E29 -65.94 3.08 -8.52 -0.45 -1
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133299 51505547 1 SN2O4C18H25 AB2C4D18E25 -110.21 3.59 0.0 0.0 1
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133300 51505548 1 SO3N4C21H29 AB3C4D21E29 -74.43 2.33 0.0 0.0 0
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133301 51505549 1 SO3N4C21H28 AB3C4D21E28 -90.61 4.84 -8.79 -0.84 1
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133302 51505550 1 SO3N4C21H29 AB3C4D21E29 -77.07 2.92 0.0 0.0 0
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133303 51505798 1 O10H20C21 A10B20C21 -360.62 3.93 -9.44 -1.59 0
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133304 51505958 1 FO2N4H19C26 AB2C4D19E26 20.33 2.47 -8.57 -0.99 0
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133305 51506342 1 BrON2H23C24 ABC2D23E24 14.86 3.99 -8.39 -0.71 -1
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133306 51506410 1 O2N5H20C21 A2B5C20D21 50.07 1.82 0.0 0.0 0
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133307 51506710 1 N3O5H23C24 A3B5C23D24 -153.38 0.77 -9.17 -0.52 -1
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133308 51506907 1 BrFN2O5H13C19 ABC2D5E13F19 -161.53 2.46 0.0 0.0 0
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133309 51507003 1 ClF3N3O3H19C25 AB3C3D3E19F25 -175.39 9.68 -9.19 -0.94 0
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133310 51507099 1 OS2N3H19C22 AB2C3D19E22 60.47 2.98 -8.75 -1.55 0