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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84249 49865108 1 SN4O4H18C22 AB4C4D18E22 -63.92 5.98 -9.32 -1.24 0
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84250 49865109 1 FN6C25H31 AB6C25D31 69.44 4.18 -8.45 -0.55 0
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84251 49865110 1 FN6C24H29 AB6C24D29 85.76 4.44 -8.78 -0.46 0
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84252 49865114 1 F3N4O4C21H25 A3B4C4D21E25 -230.06 7.9 -9.4 -1.63 0
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84253 49865122 1 ClN2O2C23H29 AB2C2D23E29 -46.54 1.72 -9.29 -0.17 0
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84254 49865128 1 ClFNO3H19C23 ABCD3E19F23 -47.19 11.65 -7.44 -2.39 0
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84255 49865132 1 BrFNO3H19C23 ABCD3E19F23 -78.7 1.6 -8.22 -1.18 0
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84256 49865137 1 SCl3F3N7H17C25 AB3C3D7E17F25 17.02 4.8 -9.81 -1.63 0
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84257 49865138 1 N2O7C17H20 A2B7C17D20 -240.51 10.91 -9.72 -0.89 0
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84258 49865139 1 N2O7C21H26 A2B7C21D26 -251.81 5.72 -9.49 -0.4 0
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84259 49865144 1 N3O4C25H25 A3B4C25D25 -44.2 5.79 -8.0 -0.66 0
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84260 49865146 1 FO3N5C12H16 AB3C5D12E16 -128.68 5.04 -8.89 -0.34 0
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84261 49865147 1 NO3C12H17 AB3C12D17 -115.53 3.76 -8.34 0.0 0
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84262 49865153 1 ClON6C25H25 ABC6D25E25 69.04 4.82 -9.05 -1.0 0
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84263 49865154 2 ON3C10H12 AB3C10D12 7.07 0.59 -8.98 -0.99 0
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84264 49865155 1 SN4O6C14H22 AB4C6D14E22 -87.67 9.15 -9.97 -1.75 0
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84265 49865158 1 FS2N5O5H24C25 AB2C5D5E24F25 -137.06 11.36 -7.66 -1.51 0
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84266 49865159 1 FSO3N4H19C22 ABC3D4E19F22 -57.28 6.06 -8.01 -1.44 0
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84267 49865160 1 BrFSO3N4H18C22 ABCD3E4F18G22 -55.81 5.58 -8.12 -1.5 0
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84268 49865162 1 ClO2N5C31H34 AB2C5D31E34 -16.51 6.95 -8.76 -0.58 0
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84269 49865163 1 O3N5C32H37 A3B5C32D37 -50.87 5.24 -8.75 -0.24 0
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84270 49865164 1 O3N5C32H37 A3B5C32D37 -46.72 3.31 -8.59 -0.27 0
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84271 49865167 1 FN4O4H19C23 AB4C4D19E23 -106.42 5.32 -9.5 -1.27 0
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84272 49865168 1 O4N5H21C23 A4B5C21D23 -61.8 6.41 -9.05 -0.83 0
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84273 49865180 1 ClNO3H22C24 ABC3D22E24 -41.87 3.4 -8.47 -1.1 0
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84274 49865189 1 SCl3N7H22C30 AB3C7D22E30 208.07 7.05 -9.41 -1.45 0
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84275 49865205 1 NSO2C12H17 ABC2D12E17 -79.57 3.14 -8.86 -0.32 0
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84276 49865208 1 O4N5C30H33 A4B5C30D33 -86.94 7.59 -9.23 -0.95 0
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84277 49865210 1 O2N6C21H26 A2B6C21D26 2.94 7.22 -8.81 -1.0 0
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84278 49865214 1 SO2N4C14H18 AB2C4D14E18 -5.22 6.27 -9.34 -1.14 0
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84279 49865217 1 FSO3N5C29H32 ABC3D5E29F32 -74.64 7.32 -7.83 -1.41 0
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84280 49865222 1 O2N5C25H31 A2B5C25D31 -39.15 7.45 -8.66 -0.41 0
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84281 49865223 1 N5O6H21C23 A5B6C21D23 -185.35 7.03 -9.43 -1.04 0
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84282 49865226 1 FN8H19C20 AB8C19D20 144.36 9.86 -9.98 -0.76 0
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84283 49865231 1 ClSF3N3O3H13C19 ABC3D3E3F13G19 -204.86 13.17 -8.96 -1.58 0
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84284 49865236 1 BrFNO3H17C22 ABCD3E17F22 -71.0 6.46 -8.26 -1.34 0
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84285 49865247 1 N2O7H24C25 A2B7C24D25 -192.68 4.77 -8.98 -0.64 0
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84286 49865248 1 N2O7C26H26 A2B7C26D26 -204.98 9.67 -9.14 -0.75 0
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84287 49865249 1 N2O9H20C21 A2B9C20D21 -273.01 5.91 -9.71 -0.78 0
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84288 49865254 1 N4O9C29H34 A4B9C29D34 -311.37 5.37 -8.99 -0.43 0
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84289 49865261 1 N3O3H15C20 A3B3C15D20 -4.0 10.85 -7.74 -1.55 0
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84290 49865275 1 ON6C20H24 AB6C20D24 54.48 8.08 -8.82 -0.81 0
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84291 49865279 1 FS2O5N6C25H25 AB2C5D6E25F25 -126.67 8.54 -7.76 -1.1 1
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84292 49865305 1 NO5C26H28 AB5C26D28 -142.82 2.68 0.0 0.0 0
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84293 49865311 1 ClSF6N7H18C26 ABC6D7E18F26 -124.32 5.15 -9.85 -1.52 0
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84294 49865367 1 NSeO4H13C20 ABC4D13E20 -72.46 8.81 -8.82 -1.88 0
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84295 49865603 1 N2O2F3H19C26 A2B2C3D19E26 -125.23 8.31 -9.03 -1.04 0
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84296 49865612 1 O3N5C29H37 A3B5C29D37 -54.73 3.11 -8.37 -0.9 0
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84297 49865619 1 IN2O3C24H31 AB2C3D24E31 -53.47 4.57 -8.43 -1.14 0
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84298 49865620 1 I2N2O3C24H30 A2B2C3D24E30 -33.54 6.0 -8.52 -1.21 0
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84299 49865621 1 N2O3C24H32 A2B3C24D32 -73.07 5.61 -8.54 -0.03 0
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84300 49865622 1 IN2O3C24H31 AB2C3D24E31 -57.14 4.15 -8.39 -1.04 0
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84301 49865634 1 N2O7C21H24 A2B7C21D24 -184.43 5.37 -8.64 -1.47 0
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84302 49865645 1 O3N5C27H33 A3B5C27D33 -43.89 4.61 -8.72 -0.92 0
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84303 49865646 1 O3N4C24H28 A3B4C24D28 -49.45 2.26 -8.77 -0.92 0
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84304 49865668 1 ON4C24H30 AB4C24D30 31.63 3.38 -8.24 -0.34 0
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84305 49865669 1 NO3C22H29 AB3C22D29 -151.29 4.8 -8.53 0.0 0
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84306 49865672 1 N4O4C29H36 A4B4C29D36 -100.74 2.79 -8.7 -0.93 0
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84307 49865673 2 N2O2C14H17 A2B2C14D17 -102.76 5.21 -8.78 -0.95 0
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84308 49865674 1 N2O6H18C27 A2B6C18D27 -9.54 3.38 -9.45 -2.12 0
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84309 49865676 1 N2O6H18C27 A2B6C18D27 -11.58 3.16 -9.47 -1.81 0
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84310 49865679 1 ON6C30H32 AB6C30D32 70.49 2.44 -8.74 -1.16 0
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84311 49865680 1 ON5C30H35 AB5C30D35 28.68 5.81 -8.26 -0.2 0
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84312 49865684 1 BrPO4C32H34 ABC4D32E34 -71.43 23.37 -6.92 -1.52 0
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84313 49865685 1 BrPO4C42H54 ABC4D42E54 -121.14 13.27 -7.1 -1.76 0
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84314 49865690 1 NSO5C16H31 ABC5D16E31 -275.15 6.41 -10.21 0.21 0
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84315 49865691 1 O5C18H18 A5B18C18 -176.67 6.9 -9.77 -0.45 1
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84316 49865698 1 NPO4C29H53 ABC4D29E53 -287.75 2.25 0.0 0.0 0
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84317 49865712 2 NO2C17H19 AB2C17D19 -84.37 4.88 -8.46 0.1 0
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84318 49865722 1 N3O5C19H21 A3B5C19D21 -85.41 5.0 -8.41 -0.44 0
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84319 49865740 1 N2O3C31H32 A2B3C31D32 -16.77 4.23 -8.42 -0.41 0
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84320 49865751 1 N4O4H34C39 A4B4C34D39 -18.45 5.5 -8.75 -0.74 0
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84321 49865753 1 N3O5H31C32 A3B5C31D32 -115.92 6.41 -8.39 -0.51 0
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84322 49865765 1 Cl2N2O7C27H30 A2B2C7D27E30 -280.41 4.72 -9.13 -0.81 0
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84323 49865769 1 N3O4C19H21 A3B4C19D21 -47.37 3.84 -8.54 -0.24 0
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84324 49865770 1 BrN3O4C19H20 AB3C4D19E20 -39.87 2.55 -8.33 -0.39 0
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84325 49865780 1 NPO5C26H42 ABC5D26E42 -288.97 15.88 -9.1 -0.34 0
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84326 49865787 1 FO2N5C26H26 AB2C5D26E26 -15.9 2.98 -8.68 -1.11 0
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84327 49865792 1 O11H28C41 A11B28C41 -258.18 5.19 -8.78 -1.65 0
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84328 49865830 1 FSN2O2C14H17 ABC2D2E14F17 -90.74 5.17 -8.65 -0.27 0
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84329 49865833 1 N2O3H16C17 A2B3C16D17 -38.91 3.69 -8.94 -0.27 0
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84330 49865836 1 N3O6H35C39 A3B6C35D39 -121.5 4.46 -8.81 -0.88 0
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84331 49865838 1 O4N5H31C34 A4B5C31D34 -16.99 4.95 -8.8 -0.84 0
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84332 49865886 1 N2O3C14H18 A2B3C14D18 -78.66 4.39 -8.89 0.06 0
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84333 49865894 1 N2O4C19H22 A2B4C19D22 -73.14 5.28 -8.27 -0.3 0
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84334 49865898 1 Cl2N2O7C24H24 A2B2C7D24E24 -239.77 5.86 -8.92 -0.72 0
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84335 49865899 1 SCl2N3O7H23C28 AB2C3D7E23F28 -195.86 6.86 -8.91 -0.96 0
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84336 49865900 1 ClOF3N4H20C22 ABC3D4E20F22 -140.76 3.98 -9.33 -0.68 0
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84337 49865913 1 NO3C32H53 AB3C32D53 -210.26 2.89 -9.05 0.71 0
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84338 49865914 1 NO3C38H57 AB3C38D57 -187.19 1.82 -8.78 0.12 0
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84339 49865922 2 NOC11H13 ABC11D13 -50.01 3.33 -8.84 -0.17 0
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84340 49865930 1 NSO4C18H21 ABC4D18E21 -105.66 3.43 -9.33 -0.17 0
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84341 49865933 1 NSO5C29H47 ABC5D29E47 -232.76 4.87 -9.5 -0.21 0
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84342 49865934 1 ON2C20H20 AB2C20D20 24.64 4.99 -8.7 -0.16 0
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84343 49865935 1 ON2C21H22 AB2C21D22 18.48 5.53 -8.8 -0.22 0
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84344 49865938 1 OS2C12H22 AB2C12D22 -73.8 2.31 -8.3 -0.49 0
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84345 49865939 1 OS2C10H22 AB2C10D22 -76.79 2.72 -8.43 -0.59 0
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84346 49865949 1 FCl2N2O7H23C27 AB2C2D7E23F27 -281.11 6.69 -9.1 -0.84 0
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84347 49865952 1 ClNOC22H22 ABCD22E22 15.89 2.94 -8.74 -0.26 0
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84348 49865953 1 ON3F6H13C19 AB3C6D13E19 -277.75 5.7 -9.71 -1.53 0