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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163286 57697666 1 ON3H12C13 AB3C12D13 53.44 4.29 0.0 0.0 0
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163287 57699136 1 ClS2O3N6C17H23 AB2C3D6E17F23 -60.19 2.2 -9.07 -1.02 0
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163288 57699750 1 O3N5C18H27 A3B5C18D27 -63.33 2.68 -8.46 -0.04 0
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163289 57701529 1 NO2H9C13 AB2C9D13 0.3 3.05 -9.28 -1.54 0
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163291 57703921 1 N4O7C35H58 A4B7C35D58 -356.12 5.42 -9.33 -0.08 0
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163293 57708137 1 OC10H10 AB10C10 53.31 3.2 -8.49 -0.67 0
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163294 57710904 1 NOC17H25 ABC17D25 -38.41 4.61 -9.26 0.2 0
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163296 57711931 1 S3O5H17C20 A3B5C17D20 -128.61 8.93 0.0 0.0 0
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163298 57712862 1 O5C17H24 A5B17C24 -210.17 1.5 -9.46 0.22 0
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163300 57715846 1 O2N5C28H39 A2B5C28D39 -34.26 2.99 -8.2 -0.3 0
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163302 57717737 1 S2N3O6C34H37 A2B3C6D34E37 -176.81 7.55 -9.12 -1.18 0
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163303 57718019 1 N2O5C44H50 A2B5C44D50 -179.02 3.7 -8.83 -0.14 0
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163304 57719011 1 N2O4C19H28 A2B4C19D28 -174.19 2.35 -9.07 0.05 0
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163305 57719832 1 N2O6C25H28 A2B6C25D28 -206.32 3.41 -8.87 -0.86 0
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163306 57725304 1 N3O4H19C22 A3B4C19D22 53.16 9.86 -8.89 -1.6 0
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163307 57726998 1 O3N9C31H35 A3B9C31D35 30.1 8.39 -9.3 -0.87 0
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163308 57726999 1 S2O3N9C26H31 A2B3C9D26E31 122.16 2.31 -9.34 -1.19 -1
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163309 57729738 1 OPtN2H13C16 ABC2D13E16 182.93 6.53 0.0 0.0 0
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163311 57730340 1 FNO3C19H28 ABC3D19E28 -174.13 2.26 -8.1 0.26 0
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163313 57732865 1 FSN4O4C28H35 ABC4D4E28F35 -183.4 4.78 -8.72 -0.85 0
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163314 57734832 1 NOPTiCl2C20H28 ABCDE2F20G28 -188.14 11.59 -7.38 -0.57 0
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163315 57735039 1 NH31C40 AB31C40 143.91 0.7 -7.89 -0.39 0
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163316 57736972 1 ClFO3N5C25H35 ABC3D5E25F35 -148.97 8.55 -8.98 -0.91 0
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163317 57737374 2 N3C5H8 A3B5C8 98.89 6.98 -9.35 0.19 0
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163320 57741277 1 OSN6C23H28 ABC6D23E28 47.15 2.26 -8.67 -1.14 0
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163321 57741303 1 N6O7C31H32 A6B7C31D32 -173.12 2.79 -8.98 -1.0 0
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163322 57742070 1 N2O4C17H22 A2B4C17D22 -153.92 2.1 -9.0 -1.23 0
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163323 57744056 2 ON2C13H15 AB2C13D15 -15.98 6.43 -8.9 -0.29 0
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163324 57744090 1 O3N6C31H38 A3B6C31D38 -22.01 10.55 -8.39 -0.27 0
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163325 57745048 1 ClO4N7H22C29 AB4C7D22E29 5.56 5.69 -8.91 -1.55 0
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163326 57747049 1 N2O6C15H20 A2B6C15D20 -171.84 6.44 -9.98 -1.28 0
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163329 57758272 1 OF3N8H13C20 AB3C8D13E20 -19.51 4.24 -8.91 -1.39 0
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163330 57762465 1 SF3O3N4H25C28 AB3C3D4E25F28 -147.06 7.47 -9.44 -1.24 -1
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163331 57762598 1 NOYC20H20 ABCD20E20 99.59 14.09 -5.8 -1.18 0
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163332 57767262 1 ClS2N4O6C21H27 AB2C4D6E21F27 -192.38 5.03 -8.49 -0.89 0
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163333 57768712 1 BrClFSN5O6C26H26 ABCDE5F6G26H26 -102.58 8.82 -9.21 -1.31 0
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163335 57768937 1 SF2O3N5C22H31 AB2C3D5E22F31 -166.81 8.11 -9.11 -1.0 -1
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163337 57770968 1 ClNOH14C17 ABCD14E17 46.65 6.99 -9.53 -0.73 0
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163338 57775150 1 ON2H16C21 AB2C16D21 85.46 2.17 -8.88 -1.03 0
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163339 57777606 2 NC6H8 AB6C8 30.74 3.04 -8.85 -0.21 0
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163340 57777770 1 NSCl2F2O4H17C20 ABC2D2E4F17G20 -215.64 3.77 -9.11 -1.36 0
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163342 57782173 1 ON7C18H25 AB7C18D25 83.3 5.92 -8.25 -0.25 0
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163345 57807916 1 N2O3C27H30 A2B3C27D30 -71.5 5.12 -8.29 -0.14 0
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163346 57820330 1 OF2N7C28H31 AB2C7D28E31 -15.53 0.67 -8.18 -1.03 0
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163347 57825657 1 N3C17H21 A3B17C21 50.63 1.86 -8.24 -0.24 0
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163348 57825658 1 FN2C11H13 AB2C11D13 -12.25 2.82 -8.5 -0.13 0
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163349 57825666 1 N3C9H11 A3B9C11 56.45 3.15 -8.94 -0.39 0
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163350 57830211 1 N3C21H29 A3B21C29 28.54 3.37 -8.23 -0.21 0
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163352 57831059 1 N8O14C49H84 A8B14C49D84 -574.98 9.24 -8.52 -0.55 0
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163353 57834423 1 SN4F5H21C22 AB4C5D21E22 -194.84 0.73 -8.55 -0.98 0
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163354 57837875 3 NOC10H11 ABC10D11 -71.69 7.17 -8.28 -0.53 0
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163355 57840814 1 OCl2N4H18C19 AB2C4D18E19 5.73 5.86 -8.52 -0.87 0
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163357 57841333 1 NO4C31H31 AB4C31D31 -85.35 2.01 -8.73 -1.09 0
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163358 57841336 1 ClFNO4H23C32 ABCD4E23F32 -76.61 2.43 -9.07 -0.9 0
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163359 57841337 1 ClNO4H24C31 ABC4D24E31 -41.07 7.55 -9.09 -1.12 0
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163361 57841344 1 NO3C33H43 AB3C33D43 -103.42 6.17 -9.09 -0.55 0
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163362 57842415 1 N5O5C34H49 A5B5C34D49 -197.6 6.78 -9.34 0.1 0
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163363 57847124 1 O2N3C32H35 A2B3C32D35 -40.64 1.52 -8.54 -0.22 0
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163364 57855005 1 SO2N3H19C23 AB2C3D19E23 28.37 4.14 -8.86 -0.91 0
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163365 57886867 1 F2O4N6H22C25 A2B4C6D22E25 -119.21 8.49 -9.29 -1.29 0
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163366 57887426 1 NO3C10H13 AB3C10D13 -39.03 3.61 -9.95 -1.29 0
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163367 57894321 1 NF3H12C18 AB3C12D18 -76.85 3.94 -8.97 -1.09 0
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163369 57896950 1 N7C26H31 A7B26C31 105.04 3.82 -8.81 -0.89 0
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163370 57896960 1 O3N4C27H28 A3B4C27D28 -22.01 8.41 -8.63 -0.58 0
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163371 57897220 1 BrON7C22H22 ABC7D22E22 101.32 6.63 -9.14 -1.0 0
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163373 57898862 1 ClO3N4H17C22 AB3C4D17E22 -10.13 3.3 -9.09 -1.06 0
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163374 57898907 1 ON3C17H29 AB3C17D29 -31.88 2.48 -8.47 1.01 0
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163375 57899027 1 N2O5C17H18 A2B5C17D18 -150.83 6.77 -9.15 -0.29 0
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163376 57900234 1 ClSN4O4C27H27 ABC4D4E27F27 -88.13 2.93 -9.04 -1.27 0
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163377 57900929 1 ClO2N4C25H25 AB2C4D25E25 -33.82 3.92 -8.58 -0.56 0
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163378 57900930 1 SN3O3C25H27 AB3C3D25E27 -64.64 7.0 -8.56 -0.56 0
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163379 57900938 2 ON2C12H12 AB2C12D12 -11.76 5.07 -8.61 -0.58 0
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163380 57900959 2 ON2C12H12 AB2C12D12 -19.93 2.14 -8.54 -0.44 0
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163381 57903686 1 O3C35H38 A3B35C38 -77.48 1.07 -8.9 -0.28 0
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163383 57907023 1 N4O4H8C15 A4B4C8D15 41.3 2.71 -10.1 -2.31 0
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163384 57911741 1 ClF2N4H5C11 AB2C4D5E11 18.91 2.26 -9.79 -1.69 0
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163385 57920689 2 NOC13H18 ABC13D18 -75.23 6.88 -8.0 0.1 0
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163386 57922652 2 OC14H18 AB14C18 -99.52 5.31 -8.99 -0.5 0
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163392 57929473 1 BNO3C8H16 ABC3D8E16 -212.67 3.06 -9.41 0.6 0
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163393 57929474 1 SN3O3C16H23 AB3C3D16E23 -117.13 6.27 -8.95 -0.88 0
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163394 57929548 1 NSO3C19H23 ABC3D19E23 -94.46 4.26 -8.81 -0.34 0
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163395 57929600 1 SCl2O3N4C15H16 AB2C3D4E15F16 -73.1 3.36 -8.64 -1.12 0
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163397 57929659 1 N2O3C31H44 A2B3C31D44 -148.11 5.11 -9.06 0.15 0
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163398 57931366 1 ON3C5H9 AB3C5D9 -38.35 3.51 -9.58 1.08 0
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163400 57935789 1 O2N3C31H45 A2B3C31D45 -70.86 4.09 -7.87 0.01 0
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163401 57935790 1 SO2N3C28H33 AB2C3D28E33 -12.78 4.13 -7.91 -0.78 0
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163402 57935792 1 N3O3C30H43 A3B3C30D43 -109.0 5.37 -8.2 0.06 0
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163404 57936652 1 NO3C20H33 AB3C20D33 -117.41 6.69 -8.75 0.05 0
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163405 57936654 1 NO5C20H29 AB5C20D29 -183.6 8.44 -9.64 -0.02 0
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163406 57936660 1 N2O14C41H50 A2B14C41D50 -522.9 7.61 -8.6 -0.39 0
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163408 57936819 2 N2H10C15 A2B10C15 162.51 3.05 -7.67 -1.14 0
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163410 57937117 1 ClON4H11C18 ABC4D11E18 81.54 9.48 -8.76 -1.72 0
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163411 57937160 1 NOH17C18 ABC17D18 13.06 4.89 -8.35 -0.5 0
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163412 57937221 1 N2O2H32C41 A2B2C32D41 91.05 8.58 -8.44 -1.38 0
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163414 57938137 1 O4C29H52 A4B29C52 -265.19 4.56 -9.55 0.95 0
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163415 57939028 1 F2N2O5C24H30 A2B2C5D24E30 -302.33 3.43 -9.53 -0.9 0
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163416 57939330 1 O2N3H17C18 A2B3C17D18 -0.73 3.76 -8.89 -0.91 0
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163417 57939353 1 FINOH15C18 ABCDE15F18 -8.4 3.19 -8.54 -0.81 0
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163419 57939436 1 O2N3F7C26H28 A2B3C7D26E28 -426.05 5.96 -9.43 -1.65 0
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163421 57939458 1 O2N3F7H28C30 A2B3C7D28E30 -391.56 6.55 -9.56 -1.04 0