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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168409 74965154 1 N3O5C27H31 A3B5C27D31 -177.33 3.89 -9.44 -0.41 0
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168410 74965408 1 ON7C20H33 AB7C20D33 -24.12 6.02 -8.54 -0.25 0
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168411 74965409 1 ON7C26H37 AB7C26D37 2.58 5.87 -8.6 -0.26 0
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168412 74965410 1 ClON6C19H23 ABC6D19E23 1.99 6.59 -8.75 -0.26 0
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168413 74965411 1 ON6C21H28 AB6C21D28 -2.76 4.29 -8.55 -0.1 0
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168414 74965412 2 ON3C10H13 AB3C10D13 -27.38 7.6 -8.51 -0.13 0
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168415 74965413 1 OCl2N6C19H22 AB2C6D19E22 -1.8 5.19 -8.67 -0.48 0
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168416 74965414 2 ON3C9H14 AB3C9D14 -61.6 6.02 -8.63 -0.02 0
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168417 74965507 1 N3O4C33H43 A3B4C33D43 -115.25 2.12 -7.98 0.1 0
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168418 74965508 1 OCl2N3C19H21 AB2C3D19E21 31.77 11.4 -9.05 -1.42 0
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168420 74965674 1 PCl3F3N4O11C19H27 AB3C3D4E11F19G27 -706.57 6.44 -9.62 -0.78 0
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168421 74965675 1 PF3N5O13C30H39 AB3C5D13E30F39 -755.47 6.54 -9.15 -0.64 0
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168422 74965676 1 PF3N5O13C27H37 AB3C5D13E27F37 -751.22 5.17 -9.46 -0.62 0
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168423 74965677 1 PF3N4O11C23H30 AB3C4D11E23F30 -660.94 9.52 -9.68 -0.49 0
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168424 74965678 1 PF3N4O12C25H34 AB3C4D12E25F34 -710.84 7.86 -9.63 -0.45 0
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168425 74965679 1 PN6O7C22H25 AB6C7D22E25 -233.02 6.04 -9.04 -1.18 0
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168426 74965751 1 S2N3O6C64H65 A2B3C6D64E65 -103.38 4.5 -8.49 -0.31 0
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168427 74965951 1 O6C25H36 A6B25C36 -286.86 3.45 -9.68 -0.72 0
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168428 74965952 1 ClN2F3O3H14C17 AB2C3D3E14F17 -249.27 5.95 -9.55 -0.88 0
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168429 74965953 1 ClN2O3C18H19 AB2C3D18E19 -105.68 5.73 -9.15 -0.58 0
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168430 74966562 1 N16O16C79H96 A16B16C79D96 -569.24 12.78 -8.31 -0.75 0
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168431 74966619 1 FNSO4C25H30 ABCD4E25F30 -157.24 4.46 -8.78 -0.72 0
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168432 74966644 2 NO5C14H20 AB5C14D20 -421.72 3.99 -9.45 -0.2 0
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168433 74966645 1 PN3O8C31H36 AB3C8D31E36 -360.81 8.59 -9.66 -0.31 0
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168434 74967534 2 SN5O5C24H32 AB5C5D24E32 -320.61 6.07 -7.45 -1.32 0
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168435 74967607 1 ClO2N7C13H14 AB2C7D13E14 34.64 1.29 -8.94 -1.41 0
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168436 74967654 2 O3H10C13 A3B10C13 -153.28 6.76 -9.02 -0.76 0
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168437 74967655 1 SN3O5C28H39 AB3C5D28E39 -210.41 6.6 -8.92 -1.38 1
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168438 74967815 1 SN4O5C21H31 AB4C5D21E31 -171.73 9.75 0.0 0.0 0
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168439 74967816 1 ClSN4O4C20H29 ABC4D4E20F29 -145.41 7.96 -8.28 -0.79 -3
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168440 74967969 1 P2O8C14H19 A2B8C14D19 -211.28 6.9 0.0 0.0 0
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168441 74968187 1 S2O5N7C19H27 A2B5C7D19E27 -118.21 6.91 -8.83 -0.83 0
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168442 74968188 1 O4N11C28H43 A4B11C28D43 -118.83 2.93 -9.27 -0.66 0
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168443 74968360 1 O6N9C48H59 A6B9C48D59 -146.34 4.41 -8.74 -0.76 0
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168444 74968466 1 N3O4C22H33 A3B4C22D33 -139.7 1.57 -9.36 0.31 0
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168445 74968709 1 O13N31C58H101 A13B31C58D101 -462.0 12.22 -8.79 -1.19 0
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168446 74968732 1 N2O3C29H34 A2B3C29D34 -75.67 3.52 -8.24 -0.02 0
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168447 74968780 1 O3C26H44 A3B26C44 -184.89 4.43 -8.87 -0.02 1
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168448 74968981 1 SO2N3C13H16 AB2C3D13E16 24.9 1.61 0.0 0.0 0
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168449 74969051 1 O4N5C27H27 A4B5C27D27 -31.11 1.68 -9.09 -0.8 0
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168450 74969349 1 BrN2C16H17 AB2C16D17 66.04 2.25 -9.19 -0.38 0
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168451 74969398 1 NNaSO9H12C13 ABCD9E12F13 -364.4 6.02 -9.26 -1.14 0
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168452 74969399 1 NSO9C13H13 ABC9D13E13 -313.16 4.05 -10.33 -1.78 0
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168453 74969400 1 SO3N4C24H24 AB3C4D24E24 -27.1 1.87 -9.02 -0.59 0
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168454 74969697 2 NO3C6H11 AB3C6D11 -226.33 3.9 -9.08 -1.36 0
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168455 74969698 2 NOC4H9 ABC4D9 -66.45 1.81 -8.93 0.52 0
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168456 74969750 1 N4O4C23H24 A4B4C23D24 -110.74 11.1 -8.81 -0.35 0
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168457 74970339 1 SN2O11C29H38 AB2C11D29E38 -464.91 2.66 -8.63 -0.57 0
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168458 74970898 1 SCl2N2O6C25H30 AB2C2D6E25F30 -246.39 3.5 -8.96 -0.96 0
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168459 74971353 1 N5O5C33H55 A5B5C33D55 -182.05 8.97 -6.34 -1.87 0