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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148375 53788037 1 Cl2N2O3H10C11 A2B2C3D10E11 -85.73 4.6 -9.22 -0.76 0
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148376 53788038 1 OSN2H6C8 ABC2D6E8 24.51 2.7 -8.82 -1.16 0
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148377 53788039 1 ON2C11H14 AB2C11D14 -6.06 3.38 -8.91 -0.45 0
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148378 53788040 1 OSN3C23H27 ABC3D23E27 39.94 1.99 -8.53 -0.37 1
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148379 53788041 1 N2P2O11C44H89 A2B2C11D44E89 -718.65 16.77 0.0 0.0 0
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148380 53788042 1 OSN2F3H7C11 ABC2D3E7F11 -102.47 6.36 -9.09 -1.39 0
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148381 53788043 1 O5C25H44 A5B25C44 -276.14 2.81 -10.23 0.35 0
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148382 53788044 1 N2O5C30H44 A2B5C30D44 -213.49 1.54 -7.76 0.4 0
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148383 53788045 1 N4O5C19H26 A4B5C19D26 -182.89 7.24 -8.59 -0.12 0
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148384 53788046 3 NH3C4 AB3C4 104.72 4.21 -8.98 -0.95 0
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148385 53788047 1 ClNO3C29H42 ABC3D29E42 -151.08 2.85 -8.36 -0.3 0
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148386 53788048 1 NOH15C17 ABC15D17 7.31 2.17 -8.15 -0.47 0
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148387 53788049 1 N3O4H23C24 A3B4C23D24 -97.67 9.46 -9.67 -0.99 0
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148388 53788050 1 N2O4C19H22 A2B4C19D22 -66.47 8.42 -8.25 -0.64 0
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148389 53788051 1 N2O5C21H30 A2B5C21D30 -219.57 1.96 -9.77 -0.18 0
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148390 53788052 1 N4O8C37H48 A4B8C37D48 -311.23 2.14 -8.95 -0.12 0
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148391 53788053 2 OC10H18 AB10C18 -111.28 1.77 -8.92 0.99 0
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148392 53788054 1 NS2O5C9H9 AB2C5D9E9 -147.57 2.52 -9.72 -1.37 0
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148393 53788055 1 O5C23H40 A5B23C40 -268.46 3.18 -9.7 0.79 0
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148394 53788056 1 Br2O2C11H18 A2B2C11D18 -104.84 1.64 -9.7 -1.12 0
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148395 53788057 2 OC4H9 AB4C9 -131.94 3.06 -10.17 2.32 0
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148396 53788058 1 I3N3O5C16H16 A3B3C5D16E16 -128.05 6.43 -8.56 -2.04 0
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148397 53788059 1 O5C19H22 A5B19C22 -159.32 1.76 -8.6 -0.26 0
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148398 53788060 1 ON2C27H34 AB2C27D34 -2.62 2.21 -8.55 -0.66 1
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148399 53788061 1 SO2N4C23H23 AB2C4D23E23 -4.41 6.56 0.0 0.0 0
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148400 53788062 1 ON2C18H30 AB2C18D30 -64.38 2.88 -8.75 -0.03 0
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148401 53788063 1 ON2S2C15H24 AB2C2D15E24 -62.85 1.7 -8.53 -0.25 0
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148402 53788064 1 O6C27H28 A6B27C28 -163.48 5.49 -8.88 -1.12 1
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148403 53788065 1 PN2O2C6H16 AB2C2D6E16 -97.6 4.35 0.0 0.0 0
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148404 53788066 1 ClO3N4C33H39 AB3C4D33E39 -109.79 4.91 -9.04 -0.29 0
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148405 53788067 1 NO5H13C17 AB5C13D17 -143.12 6.01 -9.41 -1.28 0
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148406 53788068 2 C13H17 A13B17 32.04 0.26 -8.68 0.57 0
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148407 53788069 2 C13H17 A13B17 34.21 0.25 -8.59 0.58 0
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148408 53788070 1 ClSO3N4C22H29 ABC3D4E22F29 -98.49 9.98 -8.45 -0.05 0
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148409 53788071 1 OC19H36 AB19C36 -72.45 2.24 -9.79 1.09 0
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148410 53788072 1 ClC31H37 AB31C37 0.9 2.44 -8.84 0.05 0
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148411 53788073 1 FN2O3H15C16 AB2C3D15E16 -114.13 6.63 -8.97 -0.77 0
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148412 53788074 1 SN2F3O3C14H15 AB2C3D3E14F15 -279.89 3.5 -9.43 -0.88 0
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148413 53788075 1 BrOC9H9 ABC9D9 -13.33 0.89 -8.86 -0.32 0
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148414 53788076 1 NOC8H13 ABC8D13 -38.54 3.7 -9.59 0.22 0
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148415 53788077 1 ClS2N3O4C7H12 AB2C3D4E7F12 -113.12 2.98 -9.22 -1.59 0
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148416 53788078 2 OC4H6 AB4C6 -61.83 3.85 -10.06 -0.38 0
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148417 53788079 1 BrCl2O2C11H15 AB2C2D11E15 -93.15 4.31 -9.9 -1.14 0
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148418 53788080 1 C31H46 A31B46 1.79 0.4 -8.57 -0.15 0
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148419 53788081 1 ClF2C28H35 AB2C28D35 -119.98 4.62 -9.22 -0.76 0
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148420 53788082 1 NSO4C12H17 ABC4D12E17 -147.19 6.56 -8.52 -0.31 0
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148421 53788083 1 SN2O4C18H24 AB2C4D18E24 -149.23 4.89 -8.84 -0.31 0
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148422 53788084 1 F2O5N7H23C28 A2B5C7D23E28 -100.49 18.05 -8.29 -1.15 0
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148423 53788085 1 BrON2C21H27 ABC2D21E27 4.53 3.21 -8.76 -0.65 0
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148424 53788086 2 NO2C9H10 AB2C9D10 -135.92 3.28 -8.97 -0.11 0
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148425 53788087 1 O2N4C29H38 A2B4C29D38 26.69 3.72 -8.66 -0.3 0
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148426 53788088 1 NO2C17H23 AB2C17D23 -78.47 4.01 -9.56 -0.58 0
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148427 53788089 1 FNOCl2C15H16 ABCD2E15F16 -68.64 2.95 -9.12 -0.44 0
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148428 53788090 1 ClS2N3O6C17H18 AB2C3D6E17F18 -137.8 4.2 -8.62 -2.21 0
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148429 53788091 1 O2N3C9H15 A2B3C9D15 -79.86 2.0 -9.22 -0.05 0
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148430 53788092 1 ClN2O4C28H37 AB2C4D28E37 -152.58 5.57 -9.15 -0.3 0
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148431 53788093 1 NO6C14H25 AB6C14D25 -321.9 2.89 -10.14 0.1 0
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148432 53788094 1 SiS2N4O6C26H40 AB2C4D6E26F40 -212.7 6.66 -8.71 -2.58 0
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148433 53788095 1 NO2H11C12 AB2C11D12 -5.09 1.78 -8.67 -0.61 0
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148434 53788096 1 N4O9H22C27 A4B9C22D27 -269.17 9.71 -8.96 -1.57 0
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148435 53788097 1 N2O3C18H18 A2B3C18D18 -56.54 4.07 -8.1 0.35 0
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148436 53788098 1 PN2O3C34H61 AB2C3D34E61 -217.69 3.24 -8.81 0.4 0
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148437 53788099 1 ON7C25H25 AB7C25D25 89.83 8.49 -9.02 -0.52 0
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148438 53788100 1 N3O3H17C18 A3B3C17D18 0.06 7.07 -9.14 -0.77 0
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148439 53788101 1 OCl5H5C9 AB5C5D9 -23.09 2.58 -9.71 -1.26 0
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148440 53788102 1 N8O13C43H60 A8B13C43D60 -576.14 18.85 -8.72 -0.87 0
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148441 53788103 1 IOSN3C13H14 ABCD3E13F14 20.18 3.59 -9.03 -1.02 0
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148442 53788104 1 NSF2O2H11C13 ABC2D2E11F13 -91.91 3.7 -8.87 -0.8 0
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148443 53788105 1 ClO3H5C10 AB3C5D10 -74.77 2.55 -10.29 -1.89 0
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148444 53788106 1 NO3C16H19 AB3C16D19 -109.97 5.08 -9.91 -1.04 0
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148445 53788107 1 NOC16H17 ABC16D17 13.96 2.11 -8.73 0.22 0
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148446 53788108 1 N2O8C31H42 A2B8C31D42 -307.31 6.55 -8.75 -0.91 0
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148447 53788109 1 NOS2H17C18 ABC2D17E18 43.57 2.54 -8.58 -0.28 0
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148448 53788110 1 NOC17H27 ABC17D27 -76.47 3.72 -9.18 0.33 0
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148449 53788111 1 ClN2O6C21H21 AB2C6D21E21 -206.32 6.82 -9.68 -0.93 0
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148450 53788112 1 NCl2O3C20H23 AB2C3D20E23 -87.34 4.6 -9.44 -0.77 0
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148451 53788113 1 NO2F3H6C8 AB2C3D6E8 -183.93 5.24 -10.4 -0.85 0
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148452 53788114 1 NO2C15H29 AB2C15D29 -149.6 3.24 -9.59 0.85 0
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148453 53788115 1 OC20H34 AB20C34 -92.51 3.13 -9.37 0.76 0
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148454 53788116 1 O3C13H14 A3B13C14 -109.7 8.61 -9.47 -0.71 0
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148455 53788117 1 SN3O3C12H17 AB3C3D12E17 -89.39 6.25 -9.24 -0.81 0
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148456 53788118 1 N2O3H16C20 A2B3C16D20 -27.95 3.71 -8.25 -0.89 0
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148457 53788119 1 NP2O10C20H33 AB2C10D20E33 -574.85 4.29 -9.36 -0.31 0
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148458 53788120 1 SSiN2C15H24 ABC2D15E24 -20.72 6.28 -7.79 -0.26 0
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148459 53788121 1 O2N3C17H19 A2B3C17D19 1.89 3.85 -8.54 -1.01 0
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148460 53788122 1 OSCl2N3H9C10 ABC2D3E9F10 21.15 4.49 -9.31 -1.1 0
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148461 53788123 1 ClNSO2C16H16 ABCD2E16F16 -51.02 5.51 -8.77 -1.02 0
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148462 53788124 1 OF2C18H24 AB2C18D24 -173.22 4.28 -9.87 -0.07 0
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148463 53788125 1 O3N6H22C26 A3B6C22D26 76.56 6.61 -8.37 -1.05 0
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148464 53788126 1 NO2C16H17 AB2C16D17 -17.79 5.01 -8.8 -0.46 0
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148465 53788127 1 NF2O5C36H43 AB2C5D36E43 -343.85 2.2 -9.52 -0.59 0
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148466 53788128 1 Si3O4C47H84 A3B4C47D84 -346.0 1.63 -8.79 0.06 0
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148467 53788129 1 Si3O4C47H84 A3B4C47D84 -348.54 3.19 -8.62 0.25 0
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148468 53788130 1 FC19H21 AB19C21 -19.21 1.24 -8.52 0.02 0
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148469 53788131 1 N2O4C9H12 A2B4C9D12 -156.28 4.0 -9.57 0.01 0
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148470 53788132 2 NOC4H7 ABC4D7 -94.41 0.59 -9.3 0.69 0
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148471 53788133 1 ClS2N4O4H13C16 AB2C4D4E13F16 -65.21 2.84 -9.17 -1.81 0
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148472 53788134 1 O18C27H44 A18B27C44 -823.96 3.12 -9.84 -0.02 0
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148473 53788135 1 ON2S2H10C11 AB2C2D10E11 19.85 3.39 -8.72 -1.27 0
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148474 53788136 1 N3C22H43 A3B22C43 -51.31 4.86 -9.04 0.78 0