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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