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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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151286 53790986 2 C6H11 A6B11 -34.22 0.07 -9.46 1.45 0
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151287 53790987 1 F2N5O6C32H33 A2B5C6D32E33 -193.95 8.63 -8.52 -1.03 0
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151288 53790988 1 ClON5C24H42 ABC5D24E42 -49.69 6.01 -9.32 -0.08 0
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151289 53800570 1 O5C24H32 A5B24C32 -215.45 4.09 -9.2 0.33 0
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151290 53800991 1 ClSN3O4C23H30 ABC3D4E23F30 -116.18 10.35 -9.16 -1.07 0
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151291 53800997 1 BrCl2O4N5H26C31 AB2C4D5E26F31 -5.47 3.73 -8.7 -0.94 0
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151292 53801002 1 NO2C12H13 AB2C12D13 -62.68 5.07 -8.48 -0.79 0
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151293 53801005 1 N2O5C10H18 A2B5C10D18 -233.14 3.52 -9.3 0.76 0
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151294 53801006 1 N3O4C18H23 A3B4C18D23 -41.18 5.57 -8.92 -1.43 0
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151295 53801012 1 O8C17H22 A8B17C22 -184.53 4.32 -9.79 -1.42 0
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151296 53801014 1 C9H14 A9B14 46.7 1.24 -10.59 1.83 0
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151297 53801018 1 BrPSN2O5C9H14 ABCD2E5F9G14 -228.25 5.11 -9.32 -1.08 0
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151298 53801019 1 FOH17C18 ABC17D18 -39.07 3.25 -9.25 -0.73 0
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151299 53801022 1 FON2C29H37 ABC2D29E37 -58.29 2.73 -8.76 -0.88 0
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151300 53801024 2 NOC7H9 ABC7D9 -23.69 2.06 -8.65 -0.34 0
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151301 53801028 2 O3C4H8 A3B4C8 -279.67 3.68 -10.39 0.45 0
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151302 53801030 1 NC19H35 AB19C35 -49.01 1.65 -8.04 1.53 0
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151303 53801032 2 NOC10H12 ABC10D12 -42.49 1.64 -8.53 -1.54 0
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151304 53801033 2 NOC9H9 ABC9D9 -26.04 1.59 -8.48 -1.52 0
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151305 53801034 2 ClOH4C5 ABC4D5 -41.54 2.4 -8.9 -0.62 0
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151306 53801035 1 ON4C28H40 AB4C28D40 -34.07 5.36 -8.35 -0.1 0
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151307 53801036 2 ON2C8H9 AB2C8D9 4.4 3.18 -9.69 -0.94 0
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151308 53801038 1 ClN3C12H14 AB3C12D14 85.86 3.38 -8.87 -0.88 0
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151309 53801039 1 NO8C25H31 AB8C25D31 -299.96 12.58 -9.52 -0.5 0
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151310 53801040 1 O3N4C15H26 A3B4C15D26 -54.35 6.38 -9.0 -0.36 0
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151311 53801046 2 ON2C6H6 AB2C6D6 21.39 2.35 -8.73 -1.64 0
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151312 53801047 1 OF2C38H52 AB2C38D52 -156.6 3.7 -8.8 -0.31 0
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151313 53801049 1 ClNSO3H10C15 ABCD3E10F15 28.18 6.17 -8.89 -1.21 0
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151314 53801051 1 Cl2O3C11H12 A2B3C11D12 -123.32 2.81 -9.46 -0.51 0
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151315 53801052 1 O4C17H18 A4B17C18 -105.84 8.67 -9.28 -0.21 0
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151316 53801053 1 NPSF2O5C16H16 ABCD2E5F16G16 -318.69 3.47 -9.15 -0.8 0
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151317 53801054 1 FNO4C44H86 ABC4D44E86 -424.67 1.95 -9.74 0.5 0
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151318 53801057 1 SiN3O3C8H23 AB3C3D8E23 -227.81 5.35 -9.08 0.71 0
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151319 53801058 1 NSO2C10H21 ABC2D10E21 -108.52 4.88 -8.81 1.0 0
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151320 53801062 2 O3C8H13 A3B8C13 -301.96 4.63 -10.44 -0.32 0
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151321 53801065 1 ClIN4H12C19 ABC4D12E19 127.24 6.29 -9.44 -1.35 0
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151322 53801067 1 N2F3H9C11 A2B3C9D11 -97.66 5.89 -9.93 -0.37 0
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151323 53801068 1 NCl2O3C16H21 AB2C3D16E21 -139.78 3.35 -9.56 -0.66 0
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151324 53801069 1 N2O3C20H24 A2B3C20D24 -48.23 4.92 -8.35 -0.16 0
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151325 53801071 1 N3O5C33H43 A3B5C33D43 -127.51 3.49 -8.37 -0.63 0
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151326 53801073 3 OC4H6 AB4C6 -152.39 3.49 -10.12 0.07 1
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151327 53801074 1 N2O2C8H13 A2B2C8D13 -42.93 2.38 0.0 0.0 0
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151328 53801075 2 NO2C11H12 AB2C11D12 -73.48 3.47 -9.31 -0.63 0
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151329 53801076 1 S2O4C11H12 A2B4C11D12 -120.14 5.53 -9.7 -1.13 0
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151330 53801081 1 O6H8C15 A6B8C15 -165.49 8.7 -10.22 -1.92 0
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151331 53801082 1 SO2N3C15H21 AB2C3D15E21 -37.81 8.16 -8.82 -0.27 0
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151332 53801085 2 NO6C22H25 AB6C22D25 -395.18 6.81 -8.22 -1.95 0
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151333 53801086 1 N2O2C31H46 A2B2C31D46 -132.68 6.67 -8.93 -0.15 0
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151334 53801087 1 NSO7C22H37 ABC7D22E37 -334.59 6.63 -9.83 -0.31 0
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151335 53801088 1 O2C15H24 A2B15C24 -119.24 5.2 -10.19 0.29 0
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151336 53801089 2 OC6H12 AB6C12 -134.21 2.97 -10.39 2.67 0
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151337 53801090 1 O4Si4C21H36 A4B4C21D36 -75.96 0.36 -6.59 -0.54 0
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151338 53801091 1 FO3C4H9 AB3C4D9 -204.42 1.12 -10.66 1.78 0
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151339 53801092 1 IN2O3C16H19 AB2C3D16E19 -74.69 5.3 -8.6 -1.35 0
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151340 53801094 1 FN3O3C18H20 AB3C3D18E20 -129.66 12.68 -9.19 -1.05 0
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151341 53801097 1 F2N5O6C26H31 A2B5C6D26E31 -254.71 9.25 -8.95 -1.05 0
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151342 53801098 1 C3H3N7 A3B3C7 157.73 5.87 -10.67 -1.43 0
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151343 53801099 1 N4O4C19H24 A4B4C19D24 -114.11 6.33 -8.56 -0.67 0
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151344 53801100 1 S2N4O5C12H18 A2B4C5D12E18 -140.01 7.21 -9.08 -0.82 0
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151345 53801102 1 BrSN3O4H6C7 ABC3D4E6F7 -62.65 5.65 -9.75 -1.59 0
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151346 53801103 1 N2S3C10H20 A2B3C10D20 25.96 2.39 -8.81 -1.48 0
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151347 53801108 2 O2C10H15 A2B10C15 -114.25 2.04 -10.66 -0.88 0
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151348 53801110 1 ClO2C19H25 AB2C19D25 -114.71 4.21 -9.45 0.5 0
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151349 53801113 1 FOSN2C18H21 ABCD2E18F21 -51.93 4.23 -8.96 -0.39 0
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151350 53801116 1 ClNOC14H16 ABCD14E16 -21.95 2.09 -8.96 -0.05 0
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151351 53801117 1 O2C9H20 A2B9C20 -142.2 1.06 -10.84 2.43 0
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151352 53801122 1 N2O4C21H30 A2B4C21D30 -155.69 5.22 -8.7 -0.62 0
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151353 53801123 1 OC9H16 AB9C16 -29.87 2.59 -9.68 1.24 0
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151354 53801125 1 SO2N4C26H32 AB2C4D26E32 -23.95 3.17 -8.41 -0.52 0
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151355 53801126 1 Cl2S2O7H10C14 A2B2C7D10E14 -242.0 2.08 -10.76 -1.98 0
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151356 53801129 1 ClN2O2C18H27 AB2C2D18E27 -62.89 7.07 -8.59 -0.5 0
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151357 53801130 1 NO2F5H24C27 AB2C5D24E27 -242.37 4.78 -8.54 -1.07 0
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151358 53801132 1 NO3C14H17 AB3C14D17 -103.21 1.93 -9.34 -0.5 0
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151359 53801133 1 PO3C20H39 AB3C20D39 -186.31 1.01 -9.63 0.25 0
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151360 53801134 1 NO9C19H35 AB9C19D35 -450.11 4.46 -10.1 0.38 0
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151361 53801136 1 OPN4C7H13 ABC4D7E13 -45.25 3.53 -8.06 0.23 0
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151362 53801138 1 O2N3C16H29 A2B3C16D29 -98.98 4.3 -9.07 0.52 0
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151363 53801139 1 O5N8C25H34 A5B8C25D34 -163.23 13.0 -9.15 -0.63 0
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151364 53801143 1 ClS3N6O7H23C27 AB3C6D7E23F27 -87.35 10.15 -8.71 -1.84 0
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151365 53801145 1 O3C12H16 A3B12C16 -124.98 2.23 -9.97 -0.69 0
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151366 53801146 4 OC9H16 AB9C16 -270.3 7.43 -9.24 0.59 0
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151367 53801147 1 O5N6C26H42 A5B6C26D42 -212.94 5.38 -8.9 -0.24 0
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151368 53801151 1 SN2O4C11H14 AB2C4D11E14 -132.95 4.52 -9.47 -1.12 0
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151369 53801152 1 ClFN2O3C22H34 ABC2D3E22F34 -186.71 4.22 -8.41 -0.3 1
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151370 53801154 1 S2O6N8C22H29 A2B6C8D22E29 -110.37 9.96 0.0 0.0 0
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151371 53801155 1 O3C21H28 A3B21C28 -119.87 3.72 -9.89 -0.46 1
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151372 53801157 1 N2O2C23H39 A2B2C23D39 3.34 4.48 0.0 0.0 0
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151373 53801158 1 O5H14C17 A5B14C17 -154.07 4.06 -10.5 -1.57 0
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151374 53801159 1 N4S4O6C11H12 A4B4C6D11E12 -156.09 1.58 -9.04 -1.21 0
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151375 53801160 1 N3O4F6C30H31 A3B4C6D30E31 -474.08 2.65 -8.68 -1.31 0
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151376 53801163 1 O3C9H16 A3B9C16 -132.14 3.06 -9.89 0.72 0
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151377 53801164 1 ON3C16H19 AB3C16D19 16.8 4.18 -8.97 -0.54 0
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151378 53801165 1 SN2O3C26H40 AB2C3D26E40 -155.8 2.15 -8.76 0.19 0
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151379 53801166 1 SN3O6C18H25 AB3C6D18E25 -257.7 3.3 -9.12 -0.28 0
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151380 53801168 1 F2N4O6C37H38 A2B4C6D37E38 -249.51 4.82 -9.04 -0.77 1
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151381 53801170 1 ClN3F4O4H17C18 AB3C4D4E17F18 -216.99 11.1 0.0 0.0 0
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151382 53801171 1 O2F3N4H21C24 A2B3C4D21E24 -147.62 4.11 -8.46 -1.2 0
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151383 53801172 1 NF3O4C15H20 AB3C4D15E20 -336.64 2.76 -9.27 -0.41 0
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151384 53801173 1 N2C13H20 A2B13C20 1.14 2.58 -8.21 0.5 0
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151385 53801175 1 O3C18H20 A3B18C20 -76.07 5.09 -9.15 -0.9 0