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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225637 87219105 1 S2N4O5C31H42 A2B4C5D31E42 -179.0 4.23 -8.26 -0.62 0
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225638 87219106 1 S2N3O3C28H29 A2B3C3D28E29 -35.02 7.58 -8.93 -0.76 0
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225639 87219109 1 SF2N3O4C27H31 AB2C3D4E27F31 -216.96 5.76 -8.9 -0.91 0
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225640 87219110 1 SN3O4C28H35 AB3C4D28E35 -142.64 2.96 -8.47 -0.46 0
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225641 87219114 1 F2N4O5C26H28 A2B4C5D26E28 -221.37 7.93 -9.55 -1.14 0
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225642 87219115 1 ClFSN3O4H27C29 ABCD3E4F27G29 -132.62 2.05 -9.05 -0.78 0
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225643 87219116 1 ClN4O6C28H33 AB4C6D28E33 -170.48 8.31 -9.37 -0.4 0
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225644 87219117 1 ClSN3O3C26H30 ABC3D3E26F30 -83.61 9.26 -8.77 -1.27 0
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225645 87219120 1 NaS4C6O6H14 AB4C6D6E14 -320.07 7.27 0.0 0.0 0
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225646 87219121 1 BrClSN3O3C23H31 ABCD3E3F23G31 -128.39 7.83 -9.11 -1.16 0
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225647 87219122 1 SiN5O6C45H57 AB5C6D45E57 -228.31 5.9 -8.81 -0.27 0
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225648 87219148 1 FSN3O5C31H38 ABC3D5E31F38 -222.43 2.09 -8.46 -0.46 0
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225649 87219150 1 FSN4O4H23C28 ABC4D4E23F28 -59.21 4.27 -8.84 -0.95 0
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225650 87219153 1 FSN4O6C35H45 ABC4D6E35F45 -257.89 6.21 -8.67 -1.07 0
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225651 87219154 1 NO2C4H7 AB2C4D7 -48.92 3.06 -9.98 0.94 0
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225652 87219176 1 NaSO5C6H9 ABC5D6E9 -252.02 9.76 -9.74 0.25 0
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225653 87225231 1 N7O7C30H35 A7B7C30D35 -224.09 9.15 -8.59 -1.6 0
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225654 87225253 1 N7O8C30H31 A7B8C30D31 -251.72 10.21 -8.71 -1.62 0
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225655 87225328 1 O2N4C17H18 A2B4C17D18 62.07 4.29 -8.46 -1.53 0
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225656 87225329 1 SP2N6O11C28H34 AB2C6D11E28F34 -488.96 8.71 -8.68 -1.75 0
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225657 87225330 1 SN6O8C29H30 AB6C8D29E30 -247.07 9.64 -8.94 -1.94 0
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225658 87225331 1 PSN6O8C23H23 ABC6D8E23F23 -287.58 7.33 -8.88 -1.9 0
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225659 87225332 1 SN6O7H22C24 AB6C7D22E24 -188.27 11.85 -8.81 -1.87 0
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225660 87225333 1 S2O3N5C21H21 A2B3C5D21E21 2.47 1.04 -8.38 -0.72 0
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225661 87225334 1 FKSO4C8H19 ABCD4E8F19 -303.31 10.35 0.0 0.0 0
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225662 87225335 1 SN6O7H26C27 AB6C7D26E27 -196.32 9.27 -8.78 -1.82 0
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225663 87225336 1 SN6O7H24C26 AB6C7D24E26 -188.3 10.0 -9.02 -1.97 0
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225664 87225337 1 N7O8C30H31 A7B8C30D31 -251.83 2.27 -8.34 -1.47 0
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225665 87225338 1 SN5O6C28H37 AB5C6D28E37 -204.76 7.87 -8.83 -0.89 0
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225666 87225339 1 NSO4C11H17 ABC4D11E17 -140.13 5.45 -9.91 -0.36 1
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225667 87225340 1 NSO5C11H14 ABC5D11E14 -140.74 4.15 0.0 0.0 0
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225668 87225341 1 SN6O6H18C21 AB6C6D18E21 -103.71 7.82 -8.96 -1.97 0
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225669 87225342 1 NSO5C9H19 ABC5D9E19 -213.13 13.45 -9.86 -0.43 1
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225670 87225343 1 NSO5C9H20 ABC5D9E20 -218.89 2.7 0.0 0.0 0
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225671 87225344 1 BrOSN3C4H4 ABCD3E4F4 -12.54 2.23 -9.32 -2.48 0
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225672 87225345 1 F3O5N6C30H35 A3B5C6D30E35 -306.35 8.64 -8.8 -1.0 0
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225673 87225346 1 BrNOC11H24 ABCD11E24 -65.01 4.82 -9.04 0.02 0
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225674 87225347 1 BrNO2C11H22 ABC2D11E22 -97.62 12.69 -7.88 -0.76 0
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225675 87225348 1 O7N8C30H32 A7B8C30D32 -216.64 9.04 -8.46 -1.68 0
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225676 87225349 1 SN6O9C28H28 AB6C9D28E28 -284.57 12.54 -8.8 -1.83 0
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225677 87225350 1 SO6N7H23C28 AB6C7D23E28 -39.07 10.52 -9.22 -1.86 0
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225678 87225351 1 BrO4C11H13 AB4C11D13 -120.18 4.53 -9.49 -0.59 0
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225679 87225352 1 ClNO3C12H24 ABC3D12E24 -155.89 2.98 -8.59 -0.36 0
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225680 87225353 1 NO3C9H15 AB3C9D15 -91.79 4.9 -10.1 -0.11 0
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225681 87225354 1 SO5N6C24H24 AB5C6D24E24 -115.04 6.99 -8.56 -1.67 3
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225683 87225356 2 SN3O3H10C11 AB3C3D10E11 -141.77 10.79 -8.96 -1.72 0
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225684 87225357 1 SO6N7H23C24 AB6C7D23E24 -147.92 11.8 -8.51 -1.62 0
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225685 87225358 1 SO6N7H23C24 AB6C7D23E24 -149.63 9.02 -8.75 -1.84 0
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225686 87225359 1 SN6O7C25H26 AB6C7D25E26 -197.99 11.02 -8.6 -1.7 0
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225687 87225360 2 O3N4C17H22 A3B4C17D22 -173.01 8.51 -8.35 -1.58 0
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225688 87225361 1 BO8C20H29 AB8C20D29 -393.7 8.0 -9.2 -0.38 0
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225689 87225362 1 ClSN7O8C26H26 ABC7D8E26F26 -286.77 7.0 -8.86 -1.95 0
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225690 87225363 1 SN7O8H25C26 AB7C8D25E26 -243.85 8.08 -8.8 -1.84 0
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225691 87225364 1 SN6O10C28H30 AB6C10D28E30 -332.28 10.47 -8.75 -1.82 0
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225692 87225365 1 FNO2C9H20 ABC2D9E20 -139.57 0.59 -8.96 0.79 0
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225693 87225366 1 S2O5N6C24H26 A2B5C6D24E26 -99.54 11.71 -9.12 -1.73 0
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225694 87225367 1 SN6O7C26H26 AB6C7D26E26 -202.42 10.76 -8.78 -1.82 0
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225695 87225368 1 SN7O7C27H29 AB7C7D27E29 -208.37 7.51 -8.75 -1.61 0
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225696 87225369 2 S2O3C28H57 A2B3C28D57 -498.64 6.09 -8.72 -0.59 0
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225697 87225370 1 SO6N7H23C24 AB6C7D23E24 -148.93 11.58 -8.71 -1.78 0
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225698 87225371 1 O2N5H19C21 A2B5C19D21 21.52 8.14 -8.31 -1.54 0
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225699 87225372 1 SO6N7H23C24 AB6C7D23E24 -149.79 10.02 -9.08 -1.82 0
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225700 87225373 1 FNO2C11H24 ABC2D11E24 -153.5 2.54 -8.91 1.0 0
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225701 87225374 1 PN7O7C28H32 AB7C7D28E32 -276.7 10.53 -8.29 -1.5 0
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225702 87225375 1 O3N4C32H66 A3B4C32D66 -208.84 2.86 -9.5 0.25 0
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225703 87225376 1 SN7O11C30H33 AB7C11D30E33 -380.58 10.28 -8.82 -1.84 0
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225704 87225377 1 ClO3N7H22C24 AB3C7D22E24 -38.72 8.5 -8.6 -1.52 0
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225705 87225378 1 O3N7H21C24 A3B7C21D24 3.99 3.13 -8.24 -1.28 0
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225706 87225379 1 O4N7C28H31 A4B7C28D31 -80.5 7.07 -8.36 -1.57 0
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225707 87225380 1 SBr2N3O6C30H33 AB2C3D6E30F33 -190.15 4.77 -9.0 -0.93 0
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225708 87225381 1 SBr2N3O6C30H33 AB2C3D6E30F33 -200.29 2.94 -8.95 -1.1 0
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225709 87225382 1 BrOC4N4H5 ABC4D4E5 -10.17 4.03 -9.32 -2.47 0
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225710 87225383 1 BrO2N4H5C8 AB2C4D5E8 64.18 6.81 -9.48 -2.58 0
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225711 87225384 3 ON2H6C7 AB2C6D7 18.19 4.75 -6.98 -2.35 0
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225712 87225385 1 SN6O10C29H34 AB6C10D29E34 -341.11 15.54 -8.53 -1.66 0