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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85298 49873558 1 NaCu2N4S4O14H18C34 AB2C4D4E14F18G34 -151.71 33.4 0.0 0.0 0
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85300 49873563 1 SnO8C28H38 AB8C28D38 -96.12 8.38 -6.48 -1.05 0
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85302 49873565 1 SnO8C24H30 AB8C24D30 -265.71 8.51 -7.95 -0.82 0
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85303 49873568 1 NiCl4O6H10C16 AB4C6D10E16 -107.51 1.46 -7.6 -3.71 0
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85305 49873590 2 O15C31H50 A15B31C50 -1394.35 1.9 -9.36 0.14 0
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85306 49873593 1 O29C57H94 A29B57C94 -1366.57 5.64 -9.86 0.18 0
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85307 49873636 1 O29C57H94 A29B57C94 -1368.69 7.04 -9.93 -0.2 0
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85308 49873659 1 O12C67H74 A12B67C74 -351.59 2.48 -9.39 0.06 0
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85309 49873689 1 FO10C13H23 AB10C13D23 -505.64 2.59 -10.25 0.32 0
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85310 49873695 1 FO10C12H21 AB10C12D21 -499.75 4.19 -10.39 0.47 0
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85311 49873698 1 PO20H61C73 AB20C61D73 -657.59 9.59 -8.91 -0.91 0
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85312 49873700 1 O15C49H56 A15B49C56 -568.22 3.77 -9.33 -0.08 0
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85313 49873703 1 F2O15C24H32 A2B15C24D32 -785.67 3.16 -10.51 0.16 0
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85314 49873712 1 NCl2O2H21C22 AB2C2D21E22 -43.68 3.86 -9.06 -0.52 -4
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85315 49873717 1 PdC4N4S4 AB4C4D4 162.33 10.4 -9.12 -2.37 0
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85318 49873759 1 CoCl2N4O8C36H40 AB2C4D8E36F40 86.0 48.14 0.0 0.0 0
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85321 49873807 1 BrHgO4C18H18 ABC4D18E18 -103.08 7.64 0.0 0.0 -1
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85322 49873808 1 CoKN2O6C8H15 ABC2D6E8F15 -182.66 20.3 0.0 0.0 0
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85323 49873816 1 CuN2O4C14H14 AB2C4D14E14 55.2 5.61 0.0 0.0 0
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85324 49873817 2 N2C17H17 A2B17C17 135.17 1.71 -9.1 -0.55 0
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85331 49873886 1 PtP2N3O6C7H10 AB2C3D6E7F10 -13.61 4.45 0.0 0.0 -2
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85333 49873903 1 SnN2O4C14H26 AB2C4D14E26 -82.02 1.24 -5.94 -1.14 -1
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85334 49873908 1 NSnO5C15H20 ABC5D15E20 -8.78 8.09 0.0 0.0 8
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85336 49873997 1 HgBr2O6H11C20 AB2C6D11E20 -116.94 8.16 0.0 0.0 -2
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85340 49874068 1 ClPtN6C10H18 ABC6D10E18 197.33 11.05 0.0 0.0 -2
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85341 49874091 1 SnS2N4C26H38 AB2C4D26E38 73.09 6.1 -7.73 -0.42 0
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85342 49874104 2 HgNC4O4H8 ABC4D4E8 -115.35 6.37 -9.51 -1.23 0
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85343 49874110 1 FeS2N4O4C47H58 AB2C4D4E47F58 -93.61 6.86 -7.27 -1.32 0
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85344 49874118 1 O11C25H34 A11B25C34 -487.51 6.33 -10.27 0.21 0
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85346 49874134 1 O6C19H24 A6B19C24 -253.66 2.48 -10.39 0.22 0
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85347 49874145 1 O4C35H52 A4B35C52 -191.41 5.85 -8.93 -0.35 0
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85349 49874164 1 N2O11C38H54 A2B11C38D54 -405.87 5.01 -8.7 -0.61 0
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85350 49874165 1 NO7C26H41 AB7C26D41 -278.23 3.46 -8.49 0.93 0
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85351 49874168 1 NO7C25H41 AB7C25D41 -316.43 4.37 -8.74 1.68 0
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85352 49874175 1 NO4C22H35 AB4C22D35 -201.09 3.3 -8.45 1.97 0
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85353 49874199 1 O4C17H24 A4B17C24 -158.71 1.95 -9.61 0.81 -4
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85355 49874271 1 FeN4O4H32C35 AB4C4D32E35 153.82 5.88 -7.4 -1.21 -1
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85356 49874279 1 O3S3Fe4H11 A3B3C4D11 207.09 5.18 0.0 0.0 0
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85357 49874286 1 FeN6C12H24 AB6C12D24 49.99 0.3 -5.49 1.23 0
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85358 49874302 1 S3O5H18C19 A3B5C18D19 -97.99 7.3 -8.99 -0.58 0
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85359 49874312 1 HgO2C13H19 AB2C13D19 -60.25 5.42 0.0 0.0 0
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85360 49874328 1 N3O9C17H23 A3B9C17D23 -330.91 4.44 -9.15 -0.14 0
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85363 49874341 1 FeN4O5C34H36 AB4C5D34E36 1.19 8.19 -6.77 -0.79 4
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85365 49874351 1 VP2N5C10O12H19 AB2C5D10E12F19 -460.38 2.08 0.0 0.0 0
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85366 49874353 1 NYO5C8H19 ABC5D8E19 -221.63 1.55 0.0 0.0 0
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85370 49874490 1 CoH2N2O6 AB2C2D6 -103.6 4.97 0.0 0.0 0
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85371 49874569 1 NO4C10H11 AB4C10D11 -67.55 8.96 -10.13 -1.35 0
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85372 49874595 2 O2C5H5 A2B5C5 -126.52 7.34 -9.32 -0.68 0
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85373 49874598 1 ClO2C11H13 AB2C11D13 -87.38 4.98 -9.17 -0.8 0
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85374 49874617 1 N2O4H20C25 A2B4C20D25 -38.1 9.32 -8.85 -1.49 0
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85375 49874621 1 ClN2O3H9C11 AB2C3D9E11 -75.31 10.25 -9.25 -1.06 0
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85376 49874627 1 SN3O7C11H11 AB3C7D11E11 -180.38 4.55 -9.71 -2.16 0
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85377 49874635 1 ClO2H13C15 AB2C13D15 -50.79 4.64 -9.12 -1.18 0
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85378 49874637 1 BrO2H13C15 AB2C13D15 -39.65 4.27 -9.21 -1.18 0
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85379 49874642 1 O3N4C17H24 A3B4C17D24 -115.24 5.61 -7.89 -0.01 0
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85380 49874645 1 N5C19H21 A5B19C21 67.46 1.08 -8.23 -0.16 0
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85381 49874646 1 ON6H10C14 AB6C10D14 127.25 8.19 -8.76 -1.5 0
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85382 49874648 1 ON5C10H15 AB5C10D15 16.1 4.65 -9.19 -0.99 0
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85383 49874650 1 FSN3O4C18H18 ABC3D4E18F18 -165.32 4.97 -8.77 -1.14 -1
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85384 49874652 1 ClNOC11H17 ABCD11E17 -16.13 1.37 0.0 0.0 0
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85385 49874656 1 SN3O5C20H21 AB3C5D20E21 -100.24 10.12 -8.63 -1.56 -1
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85386 49874659 1 ClON3C9H11 ABC3D9E11 14.24 4.12 0.0 0.0 0
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85387 49874690 1 N3O4C12H17 A3B4C12D17 -138.6 2.08 -9.7 -0.84 0
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85388 49874691 1 O4N5C14H19 A4B5C14D19 -106.41 3.8 -9.41 -0.75 0
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85389 49874693 1 SO3H12C16 AB3C12D16 -46.22 3.83 -9.52 -1.55 0
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85390 49874706 1 N2O3C10H10 A2B3C10D10 -67.2 4.24 -9.96 -1.17 0
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85391 49874708 1 N2O3H14C16 A2B3C14D16 -44.7 3.83 -8.72 -0.83 0
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85392 49874709 1 N2O3C11H12 A2B3C11D12 -71.75 6.57 -9.43 -0.54 0
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85393 49874717 1 N2O3C11H12 A2B3C11D12 -81.63 4.06 -8.75 -0.73 0
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85394 49874730 2 FO4H6C9 AB4C6D9 -367.15 8.7 -10.87 -1.61 0
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85395 49874735 2 F3O4H6C10 A3B4C6D10 -592.82 9.59 -11.23 -1.92 0
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85396 49874736 1 ON5H7C8 AB5C7D8 12.63 0.98 -9.25 -0.71 0
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85397 49874737 2 O4H9C10 A4B9C10 -288.97 5.94 -9.76 -0.48 0
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85398 49874738 2 O6C16H21 A6B16C21 -491.53 2.72 -8.31 0.03 0
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85399 49874748 1 N2O3C17H24 A2B3C17D24 -108.08 3.46 -8.13 0.22 0
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85400 49874771 1 ClN3O3C29H30 AB3C3D29E30 -4.65 6.53 -8.54 -0.96 0
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85401 49874775 1 BrClSO2N6H20C21 ABCD2E6F20G21 65.32 7.77 -9.34 -0.86 0
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85402 49874776 1 BrClSO2N6H18C20 ABCD2E6F18G20 49.3 4.77 -9.23 -1.12 0
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85403 49874796 1 ClS2N3O4H14C15 AB2C3D4E14F15 -88.05 6.74 -9.14 -1.39 0
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85404 49874797 1 N2O3H20C21 A2B3C20D21 -46.06 2.54 -8.68 -0.74 0
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85405 49874801 1 ClS2N3O4H14C19 AB2C3D4E14F19 -57.6 3.94 -9.31 -2.05 0
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85406 49874813 2 ClO4H8C10 AB4C8D10 -311.07 6.11 -9.77 -0.84 0
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85407 49874841 2 OC7H9 AB7C9 -78.16 2.13 -9.32 0.41 0
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85408 49874845 1 NC22H27 AB22C27 37.26 2.03 -8.53 0.28 0
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85409 49874871 1 OSN2C13H14 ABC2D13E14 20.3 2.13 -8.94 -0.14 0
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85410 49874873 1 ClNOSC14H20 ABCDE14F20 -66.49 1.0 -9.02 0.04 0
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85411 49874879 1 OS2N4C9H12 AB2C4D9E12 5.03 4.38 -8.54 -0.99 0
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85412 49874907 1 ClN4O4C26H27 AB4C4D26E27 -96.22 6.4 -8.75 -1.48 0
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85413 49874915 1 SN3O5C20H25 AB3C5D20E25 -163.32 6.14 -8.42 -0.88 0
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85414 49874938 1 S2O5C15H24 A2B5C15D24 -193.81 6.02 -8.14 -0.79 0
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85415 49874940 1 NS2O3C9H11 AB2C3D9E11 -97.26 5.33 -8.44 -0.89 0
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85416 49874941 1 NS2O3C8H9 AB2C3D8E9 -77.39 4.38 -8.68 -1.05 0
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85417 49874954 1 NO4C8H15 AB4C8D15 -169.98 4.03 -9.95 0.02 0
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85418 49874958 1 BrNSC4H6 ABCD4E6 1.62 1.32 -8.5 -0.06 0
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85419 49874967 2 S3H7C9 A3B7C9 115.86 0.88 -8.76 -1.29 0
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85420 49874973 1 ClN2O2S2H9C14 AB2C2D2E9F14 26.54 3.33 -8.9 -1.82 0
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85421 49874978 1 NOC10H13 ABC10D13 -25.56 3.1 -10.08 -0.48 0
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85422 49874992 1 ClHSO3C6 ABCD3E6 -65.95 5.69 -10.34 -2.37 0
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85423 49874993 1 ClNS2O4H8C9 ABC2D4E8F9 -114.44 4.12 -10.12 -1.92 0
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85424 49875015 1 SCl2N3O3C18H19 AB2C3D3E18F19 -107.04 3.14 -9.02 -0.95 0