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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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85425 49875016 1 OSCl2N2C17H20 ABC2D2E17F20 -44.92 4.99 -8.35 -0.69 0
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85426 49875027 1 N2S2F3O3H11C15 A2B2C3D3E11F15 -184.54 2.05 -8.89 -1.55 0
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85427 49875028 1 Br2O2N3C9H9 A2B2C3D9E9 -45.7 3.93 -10.01 -1.58 0
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85428 49875031 1 SCl2O3N5C19H25 AB2C3D5E19F25 -100.07 12.47 -8.18 -1.82 0
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85429 49875033 1 ClSN3O5H16C17 ABC3D5E16F17 -6.53 7.09 -9.16 -2.23 0
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85430 49875053 1 S2N4H22C29 A2B4C22D29 216.09 6.92 -8.82 -0.98 0
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85431 49875054 1 ClSN2O3C18H25 ABC2D3E18F25 -88.24 2.81 -9.21 -0.66 0
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85432 49875064 1 SCl2N2O3H4C11 AB2C2D3E4F11 36.11 3.76 -10.05 -2.04 0
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85433 49875065 1 ClNSH2O3C5 ABCD2E3F5 -3.48 5.16 -10.42 -2.21 0
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85434 49875066 1 ClSN2O3H5C6 ABC2D3E5F6 15.48 4.79 -9.82 -1.95 0
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85435 49875092 1 ClS2O5N6C23H25 AB2C5D6E23F25 -83.45 1.77 -8.9 -1.43 0
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85436 49875096 1 S2O6C13H22 A2B6C13D22 -279.14 3.75 -9.16 -0.59 0
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85437 49875098 1 NSCl2O4H13C16 ABC2D4E13F16 -143.9 4.33 -9.28 -1.2 0
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85438 49875124 1 ClN2O4H13C17 AB2C4D13E17 -129.77 4.61 -9.37 -0.9 1
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85439 49875128 1 N3O3H8C9 A3B3C8D9 -27.6 6.95 0.0 0.0 0
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85440 49875143 1 ClN3S3O5H12C19 AB3C3D5E12F19 -69.19 5.72 -8.58 -2.34 0
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85441 49875144 1 FNO5H10C15 ABC5D10E15 -107.6 2.27 -9.25 -1.19 0
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85442 49875160 2 NC6H7 AB6C7 43.51 3.5 -9.08 -0.26 0
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85443 49875188 1 S2N3O5H19C27 A2B3C5D19E27 -49.21 4.81 -8.87 -1.94 0
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85444 49875250 1 ClS2N3O4H16C21 AB2C3D4E16F21 -42.38 4.04 -9.13 -2.01 0
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85445 49875251 1 N2O2C9H12 A2B2C9D12 -62.3 4.01 -9.25 -0.31 0
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85446 49875255 1 ON2H10C11 AB2C10D11 11.72 3.65 -10.4 -1.15 0
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85447 49875299 1 NSO3C9H9 ABC3D9E9 -87.26 3.1 -8.98 -1.23 0
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85448 49875301 1 ClNSO4H12C14 ABCD4E12F14 -122.4 3.46 -8.96 -0.86 0
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85449 49875308 1 SO4C10H10 AB4C10D10 -112.4 3.89 -9.3 -1.25 0