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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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185399 77296285 1 SO2N3H15C16 AB2C3D15E16 11.05 4.06 -9.1 -1.19 0
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185400 77296341 1 N3O5C10H17 A3B5C10D17 -227.58 3.0 -10.02 -0.16 0
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185401 77296342 1 ClN3O8C15H18 AB3C8D15E18 -339.89 6.16 -9.46 -0.72 0
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185402 77296515 1 O11C50H56 A11B50C56 -340.68 0.34 -8.69 0.09 0
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185403 77296657 1 IN2O5C12H19 AB2C5D12E19 -222.1 3.75 -10.15 -1.85 0
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185404 77296658 1 N2O2C15H24 A2B2C15D24 -86.27 3.96 -8.25 0.33 0
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185405 77296659 1 N3O7C27H27 A3B7C27D27 -232.23 10.49 -9.36 -0.75 0
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185406 77296660 1 FON3Si3C13H28 ABC3D3E13F28 -172.06 7.59 -8.89 -0.71 0
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185407 77297137 1 BNO2C14H22 ABC2D14E22 -161.27 3.28 -9.11 0.26 0
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185408 77297224 1 ClNO4C16H16 ABC4D16E16 -123.27 4.48 -9.91 -1.01 0
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185409 77297225 1 N2O3C16H22 A2B3C16D22 -96.16 10.06 -9.83 -1.43 0
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185410 77297547 1 O4N7C34H43 A4B7C34D43 -108.24 3.86 -8.64 -0.83 1
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185411 77297633 1 ClN4C23H30 AB4C23D30 70.14 6.11 0.0 0.0 1
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185412 77297634 1 O2N3C21H32 A2B3C21D32 -70.66 4.28 0.0 0.0 1
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185413 77297635 1 ON4C25H31 AB4C25D31 61.77 3.28 0.0 0.0 0
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185414 77298165 1 ClSN3O3F4H18C24 ABC3D3E4F18G24 -223.77 6.85 -8.84 -1.08 0
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185415 77298170 1 SN3O5C31H35 AB3C5D31E35 -143.68 4.81 -8.14 -0.67 0
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185416 77298208 1 FO2N3C15H18 AB2C3D15E18 -68.87 1.28 -9.62 -0.93 0
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185417 77298398 1 O4C15H20 A4B15C20 -140.31 1.8 -9.49 0.26 0
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185418 77298800 1 BrO3H21C24 AB3C21D24 -65.8 2.75 -9.26 -0.25 0
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185419 77298801 1 O6H26C27 A6B26C27 -190.72 3.35 -8.89 -0.06 0
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185420 77298802 1 BrNO4H26C27 ABC4D26E27 -104.79 3.2 -9.1 -0.31 0
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185421 77298803 1 BrNO4H22C25 ABC4D22E25 -105.92 1.75 -9.18 -0.33 0
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185422 77298804 1 BrO5H25C27 AB5C25D27 -159.72 0.93 -9.23 -0.32 0
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185423 77298805 1 O8C29H30 A8B29C30 -272.51 4.16 -8.98 -0.14 0
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185424 77298806 1 BrO3H23C25 AB3C23D25 -77.99 2.27 -9.2 -0.24 0
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185425 77299067 1 F2O3N4C23H24 A2B3C4D23E24 -112.91 1.38 -9.44 -0.64 0
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185426 77299068 2 FON2C11H11 ABC2D11E11 -72.94 0.86 -9.43 -0.69 0
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185427 77299374 1 ON7C21H25 AB7C21D25 53.78 5.06 -8.77 -0.89 0
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185428 77299900 1 SiN3O6C40H55 AB3C6D40E55 -310.77 3.42 -9.08 0.12 0
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185429 77299901 1 O5N6H22C26 A5B6C22D26 -56.83 9.17 -9.28 -1.42 0
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185430 77300040 1 NCl2O4C23H25 AB2C4D23E25 -146.87 4.4 -9.26 -0.55 0
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185431 77300041 1 NF3O4C19H22 AB3C4D19E22 -309.76 3.09 -8.59 -0.68 0
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185432 77300042 1 Cl2N5O5H19C21 A2B5C5D19E21 -73.19 4.84 -8.97 -1.61 0
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185433 77300043 1 ClF2N3O4H18C23 AB2C3D4E18F23 -38.31 4.98 -9.33 -1.14 0
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185434 77300044 1 O3N7C27H29 A3B7C27D29 48.33 4.94 -8.98 -1.7 0
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185435 77300045 1 Cl2N5O5H19C21 A2B5C5D19E21 -75.02 4.78 -8.98 -1.64 0
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185436 77300128 1 N2F3O5C10H13 A2B3C5D10E13 -387.43 3.47 -10.58 -0.52 0
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185437 77300147 1 N2O4C25H32 A2B4C25D32 -112.52 2.55 -9.15 -0.16 0
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185438 77300349 1 BrN2F3O4H18C21 AB2C3D4E18F21 -234.84 3.17 -9.67 -1.26 0
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185439 77300350 1 SN6O7C47H48 AB6C7D47E48 -112.21 11.97 -8.71 -1.3 0
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185440 77300351 1 SiN3O10C39H65 AB3C10D39E65 -485.49 3.66 -9.24 -1.22 0
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185441 77300352 1 N4O5H18C21 A4B5C18D21 -86.83 2.58 -9.69 -1.96 0
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185442 77300353 1 ON4C18H24 AB4C18D24 44.07 4.0 -9.01 -0.44 0
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185443 77300354 1 SiN3O10C37H61 AB3C10D37E61 -467.77 12.79 -9.37 -1.26 0
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185444 77300355 1 N3O4C7H7 A3B4C7D7 -84.95 5.8 -10.35 -2.51 0
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185445 77300698 1 BrN2O3C39H47 AB2C3D39E47 -100.43 5.83 -8.64 -0.89 0
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185446 77300945 1 O2F3N4H19C24 A2B3C4D19E24 -116.49 4.94 -8.37 -0.73 0
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185447 77301184 1 O2F3N9C30H34 A2B3C9D30E34 -75.93 6.87 -8.84 -1.04 0
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185448 77301312 1 N3O6C20H21 A3B6C20D21 -156.65 2.81 -8.82 -0.43 0