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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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321444 126666051 1 O4C9H12 A4B9C12 -162.76 3.54 -10.38 -0.74 0
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321445 126666054 1 ON5H9C15 AB5C9D15 133.77 7.84 -9.6 -2.38 0
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321446 126666055 1 SF3N6C13H13 AB3C6D13E13 -57.75 5.4 -8.78 -1.02 0
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321447 126666056 1 ClN3O4H18C21 AB3C4D18E21 -26.96 1.93 -8.45 -1.27 0
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321448 126666057 1 ClFO2N3H13C19 ABC2D3E13F19 -0.21 2.02 -9.45 -1.47 0
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321449 126666058 1 BrClO2N3H11C14 ABC2D3E11F14 13.88 2.36 -9.64 -1.45 0
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321450 126666061 1 ClN3O3H18C21 AB3C3D18E21 -11.05 2.68 -8.97 -1.3 1
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321451 126666062 1 ClF3N4H27C28 AB3C4D27E28 4.88 6.25 0.0 0.0 0
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321452 126666063 1 F3N3O4H20C23 A3B3C4D20E23 -187.42 4.26 -8.51 -1.2 0
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321453 126666068 1 BrClO2N3H11C14 ABC2D3E11F14 13.66 2.34 -9.63 -1.46 0
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321454 126666073 1 ClN3O4H20C22 AB3C4D20E22 -32.13 2.51 -8.4 -1.17 0
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321455 126666078 1 NO4C9H13 AB4C9D13 -127.64 2.19 -10.79 -0.87 0
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321456 126666079 1 O4N5C10H17 A4B5C10D17 -128.15 8.72 -10.54 -0.59 0
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321457 126666080 1 NO5C12H21 AB5C12D21 -268.33 3.34 -10.04 0.42 0
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321458 126666081 1 ClFO2N3H11C14 ABC2D3E11F14 -32.64 2.01 -9.63 -1.29 0
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321459 126666083 1 FON3C16H20 ABC3D16E20 -23.35 4.47 -8.22 -0.16 0
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321460 126666084 1 FON3C16H20 ABC3D16E20 -28.78 5.03 -8.56 -0.3 0
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321461 126666085 1 ClO2N3H14C19 AB2C3D14E19 47.49 2.01 -9.24 -1.33 0
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321462 126666086 1 BrN3O3H6C7 AB3C3D6E7 -27.55 2.44 -10.1 -1.7 0
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321463 126666089 1 BrNO2H18C20 ABC2D18E20 -11.41 3.41 -8.42 -0.39 0
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321464 126666091 1 FO2N3H12C14 AB2C3D12E14 -23.16 1.53 -9.5 -1.14 0
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321465 126666093 1 O2F3N3H12C15 A2B3C3D12E15 -139.02 2.19 -9.65 -1.29 0
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321466 126666094 1 F3N3O4H18C22 A3B3C4D18E22 -187.61 7.53 -9.01 -1.08 0
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321467 126666095 1 F3O3N4H17C22 A3B3C4D17E22 -157.32 5.69 -9.09 -1.33 0
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321468 126666098 1 ClN3O4H22C23 AB3C4D22E23 -38.19 1.78 -8.43 -1.15 0
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321469 126666099 1 ClSO2N3H12C17 ABC2D3E12F17 51.87 1.98 -9.18 -1.42 0
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321470 126666101 1 ClN4O4H21C23 AB4C4D21E23 -40.28 3.61 -9.39 -1.16 0
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321471 126666102 1 ClN3O4H22C24 AB3C4D22E24 -11.62 2.56 -8.41 -1.18 0
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321472 126666110 1 ClO2N3C12H14 AB2C3D12E14 -54.23 2.96 -9.37 -0.24 0
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321473 126666111 1 ClO2N3C12H14 AB2C3D12E14 -62.63 3.9 -9.71 -0.18 0
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321474 126666112 1 NO3C14H19 AB3C14D19 -121.83 3.68 -9.52 0.21 0
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321475 126666114 1 ClN4O4H21C23 AB4C4D21E23 -38.8 4.31 -9.16 -1.23 0
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321476 126666115 1 O2N3C12H15 A2B3C12D15 1.93 4.38 -9.48 -0.2 0
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321477 126666116 1 ClO3N4H17C21 AB3C4D17E21 -4.62 4.98 -9.02 -1.25 0
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321478 126666118 1 N3O3C7H7 A3B3C7D7 -22.13 1.29 -10.1 -1.38 0
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321479 126666119 1 BrClO2N3H11C18 ABC2D3E11F18 55.09 1.82 -9.6 -1.54 0
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321480 126666121 1 FNOH10C13 ABCD10E13 -26.63 3.24 -8.91 -0.67 0
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321481 126666123 1 F3O3N4H21C24 A3B3C4D21E24 -171.41 5.34 -8.89 -1.16 0
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321482 126666126 1 ClN4O4H23C25 AB4C4D23E25 -23.73 1.31 -8.5 -1.14 0
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321483 126666130 1 FO3N5H16C20 AB3C5D16E20 -28.58 4.2 -9.14 -1.39 0
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321484 126666162 1 O5N6C12H18 A5B6C12D18 -153.71 6.38 -10.38 -0.64 0
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321485 126666171 1 ClO2N5H16C21 AB2C5D16E21 71.97 5.8 -8.96 -1.39 0
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321486 126666180 1 OSN2F3C11H13 ABC2D3E11F13 -179.29 5.95 -8.59 -0.35 0
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321487 126666245 1 ClO3N5H12C13 AB3C5D12E13 -60.54 4.95 -9.17 -0.84 0
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321488 126666267 1 SN3O6C29H31 AB3C6D29E31 -190.99 9.31 -8.79 -1.26 0
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321490 126666283 1 BrClON5H11C13 ABCD5E11F13 35.03 2.41 -9.26 -0.78 0
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321491 126666317 1 SN3O4C44H59 AB3C4D44E59 -122.37 6.91 -8.16 -0.24 0
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321492 126666318 1 SN3O4C44H59 AB3C4D44E59 -126.12 5.73 -8.15 -0.25 0
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321493 126666347 1 ClOSN5C11H12 ABCD5E11F12 8.29 4.17 -9.14 -0.7 0
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321494 126666348 1 BrH19C26 AB19C26 74.35 1.79 -8.72 -0.69 0
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321495 126666352 1 O3N7C26H27 A3B7C26D27 -29.77 11.37 -8.43 -1.27 0
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321496 126666380 2 FNC5H7 ABC5D7 -77.11 2.55 -9.64 -0.4 0
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321497 126666406 1 ClF3C18H20 AB3C18D20 -144.03 1.65 -9.38 -0.33 0
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321498 126666435 1 NSO3C8H9 ABC3D8E9 -91.14 2.81 -10.1 -1.78 0
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321499 126666441 1 FSO2N4C20H21 ABC2D4E20F21 -50.22 4.84 -8.97 -0.8 0
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321500 126666445 1 NF3C11H14 AB3C11D14 -136.21 2.36 -9.5 -0.37 0
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321501 126666446 1 ClN4O4H19C21 AB4C4D19E21 -75.4 3.36 -9.09 -0.92 0
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321502 126666448 1 NC18H25 AB18C25 -8.39 1.48 -7.65 0.06 0
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321503 126666449 1 FOSN5C21H22 ABCD5E21F22 -2.18 3.03 -8.65 -0.58 0
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321504 126666450 1 O2S2F3N5C22H24 A2B2C3D5E22F24 -180.78 1.99 -8.72 -1.28 0
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321505 126666451 1 FOSN6H19C21 ABCD6E19F21 37.28 4.67 -8.75 -1.18 0
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321506 126666453 2 FNO2C7H8 ABC2D7E8 -267.61 8.49 -10.09 -1.03 0
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321507 126666455 1 S2O3N4C29H36 A2B3C4D29E36 -96.99 5.79 -8.23 -0.42 0
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321508 126666460 1 F3O3N7H22C26 A3B3C7D22E26 -128.77 5.26 -8.58 -1.05 0
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321509 126666461 1 BrOF3N3C10H11 ABC3D3E10F11 -167.99 3.8 -8.87 -0.77 0
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321510 126666462 1 OF3N3C10H10 AB3C3D10E10 -150.51 4.24 -9.11 -0.73 0
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321511 126666470 1 FN3C10H12 AB3C10D12 -5.86 3.55 -8.99 -0.24 0
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321512 126666476 1 BrN3C11H16 AB3C11D16 22.21 3.18 -8.79 0.15 0
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321513 126666478 1 F5H5C14 A5B5C14 -164.43 4.39 -9.44 -1.44 0
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321514 126666489 6 FHC3 ABC3 -184.11 5.71 -8.67 -2.09 0
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321515 126666495 1 F5H5C14 A5B5C14 -175.88 1.26 -9.12 -1.77 0
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321516 126666499 1 N2S2H26C31 A2B2C26D31 139.11 3.97 -8.49 -0.68 0
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321517 126666508 1 O2F3N7H20C25 A2B3C7D20E25 -79.13 4.67 -8.7 -1.1 0
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321518 126666509 1 NO2C10H15 AB2C10D15 -68.91 4.36 -11.13 -1.15 0
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321519 126666510 1 F5H5C14 A5B5C14 -178.84 0.54 -9.58 -1.43 1