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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229524 87567930 1 ClFNOH11C15 ABCDE11F15 -22.64 4.46 -9.7 -1.34 0
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229525 87567938 1 N3S3O5C15H19 A3B3C5D15E19 -90.92 8.38 -8.44 -1.38 0
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229526 87567939 1 NSZnO4C11H13 ABCD4E11F13 -105.86 2.85 -9.37 -1.74 0
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229527 87567940 4 NO2C4H8 AB2C4D8 -353.1 5.03 -8.78 0.28 0
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229528 87567943 1 BrNCl2O3H10C13 ABC2D3E10F13 -26.75 2.82 -10.03 -1.0 0
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229529 87567949 1 F3N4O5C29H35 A3B4C5D29E35 -328.89 5.33 -9.75 -0.86 0
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229530 87567950 1 O3N5F6H21C24 A3B5C6D21E24 -297.53 6.01 -9.31 -0.94 0
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229531 87567951 1 NTiCl2H28C30 ABC2D28E30 74.52 3.65 0.0 0.0 0
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229532 87567952 1 O3N5H21C25 A3B5C21D25 84.75 8.9 -9.26 -1.12 0
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229533 87567962 1 O3F6N6C21H22 A3B6C6D21E22 -345.85 4.96 -8.74 -1.38 0
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229534 87567963 1 NC20Br43 AB20C43 303.01 2.98 -9.32 -3.36 0
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229535 87567965 1 PBr2F2O3H7C8 AB2C2D3E7F8 -256.23 2.47 -9.67 -1.05 0
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229536 87567966 1 OCl2N7H11C20 AB2C7D11E20 158.09 6.73 -9.42 -1.78 0
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229537 87567968 1 BrNPF2O3C13H15 ABCD2E3F13G15 -256.43 2.08 -9.97 -0.89 0
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229538 87567972 1 NC5Cl13 AB5C13 -5.11 0.93 -10.43 -2.21 0
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229539 87567973 3 SN2O5C19H20 AB2C5D19E20 -375.38 6.02 -8.77 -1.2 0
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229540 87567974 3 SN2O5C19H20 AB2C5D19E20 -385.61 4.47 -8.74 -1.14 0
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229541 87567975 1 SO4N6H16C19 AB4C6D16E19 -43.54 3.63 -8.68 -0.98 0
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229542 87567976 1 SN3O8C18H23 AB3C8D18E23 -315.5 7.48 -9.31 -0.47 0
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229543 87567982 1 BrNPF2O3C14H21 ABCD2E3F14G21 -289.25 2.48 -9.31 -0.58 0
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229544 87567983 1 ZrCl2C17H26 AB2C17D26 -8.51 1.81 -7.82 -1.77 0
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229545 87567985 1 NO4H9C12 AB4C9D12 -71.29 3.22 -9.27 -1.44 0
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229546 87567989 2 FSN2O3H11C13 ABC2D3E11F13 -261.07 7.23 -9.2 -1.34 0
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229547 87567991 1 O3C10H16 A3B10C16 -31.66 3.51 -9.7 0.13 0
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229548 87567992 1 NO3C5H9 AB3C5D9 -139.72 4.13 -10.2 0.02 0
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229549 87567997 1 SO2N7H17C20 AB2C7D17E20 32.77 5.92 -9.17 -1.27 0
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229550 87567998 1 BO2F4N4C12H25 AB2C4D4E12F25 -333.66 25.51 -9.99 -1.77 0
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229551 87568002 1 NSF3O5C14H14 ABC3D5E14F14 -250.93 4.21 -10.15 -1.17 0
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229552 87568004 1 NSF3O5C14H14 ABC3D5E14F14 -247.56 2.4 -9.93 -1.08 0
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229553 87568008 2 NO2C11H11 AB2C11D11 -40.37 4.51 -9.13 -0.94 0
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229554 87568009 1 BrNPSF2O5C19H23 ABCDE2F5G19H23 -331.34 6.65 -9.75 -0.78 0
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229555 87568010 1 SO3N5H29C32 AB3C5D29E32 28.24 7.96 -8.05 -0.94 0
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229556 87568012 1 PSN2F5O7C26H26 ABC2D5E7F26G26 -536.93 5.13 -9.59 -0.85 0
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229557 87568013 1 SiN2O2C11H30 AB2C2D11E30 -204.85 1.45 -9.06 1.18 0
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229558 87568014 1 NSiO2C11H27 ABC2D11E27 -199.78 2.32 -8.85 1.34 0
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229559 87568017 1 SiO5C14H17 AB5C14D17 -223.66 10.14 0.0 0.0 0
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229560 87568018 1 FN2O3H21C22 AB2C3D21E22 -57.69 5.44 -9.49 -1.08 0
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229561 87568025 1 NSO5C11H23 ABC5D11E23 -212.04 6.12 -9.59 -0.86 1
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229562 87568026 1 NSO4C11H22 ABC4D11E22 -164.77 4.17 0.0 0.0 0
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229563 87568029 1 Cl2N2S2O3C21H22 A2B2C2D3E21F22 -54.42 3.83 -9.08 -0.82 0
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229564 87568033 1 NOSH13C15 ABCD13E15 27.8 4.68 -8.32 -0.73 0
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229565 87568040 2 PO3C6H12 AB3C6D12 -381.76 4.62 -9.98 -0.06 0
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229566 87568046 1 SiN2O5C16H32 AB2C5D16E32 -277.97 2.84 -8.9 0.03 0
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229567 87568047 1 BrPF2O3C8H8 ABC2D3E8F8 -264.81 2.8 -9.46 -0.4 0
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229568 87568049 1 N2O6C23H24 A2B6C23D24 -136.44 3.75 -8.84 -1.75 0
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229569 87568051 1 BrNPF2O4C23H27 ABCD2E4F23G27 -293.92 7.04 -9.58 -0.5 0
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229570 87568054 1 N2O8C9H18 A2B8C9D18 -304.49 5.8 -10.32 -0.87 0
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229571 87568061 1 NTiCl2H20C26 ABC2D20E26 127.67 1.43 0.0 0.0 0
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229572 87568063 1 PF2N2O7C25H33 AB2C2D7E25F33 -447.02 4.36 -9.68 -0.35 0
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229573 87568064 1 O9C11H20 A9B11C20 -427.14 8.31 -10.7 -0.15 0