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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229370 87567493 2 O2C12H23 A2B12C23 -272.21 8.92 -10.4 0.6 0
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229371 87567494 2 O2C12H23 A2B12C23 -279.6 0.14 -10.68 0.86 0
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229372 87567495 1 SN4O5C26H30 AB4C5D26E30 -148.04 6.98 -9.1 -1.24 0
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229373 87567496 1 SN4O5C26H28 AB4C5D26E28 -96.59 14.62 -8.86 -0.97 0
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229374 87567497 1 PF2O5C14H19 AB2C5D14E19 -377.9 3.61 -10.0 -0.66 0
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229376 87567499 1 ClFSN3O4C23H29 ABCD3E4F23G29 -183.13 5.27 -8.81 -0.23 0
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229377 87567500 1 ClFSN3O4C23H29 ABCD3E4F23G29 -177.1 5.24 -8.56 -0.36 0
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229378 87567503 1 SO5C6H8 AB5C6D8 -181.86 7.01 -11.13 -1.28 0
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229379 87567505 1 IPF2O3C8H8 ABC2D3E8F8 -248.41 5.31 -9.1 -1.2 0
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229380 87567507 1 BrPF2N2O3C17H26 ABC2D2E3F17G26 -282.77 2.2 -8.51 -0.46 0
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229381 87567509 1 O4C13H24 A4B13C24 -226.07 7.88 -10.38 0.13 0
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229382 87567516 3 NOC7H13 ABC7D13 -54.7 0.94 -8.67 -0.26 0
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229383 87567518 1 FON2S2C20H21 ABC2D2E20F21 8.68 4.39 -9.08 -0.7 0
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229384 87567519 2 NO2C11H11 AB2C11D11 -42.06 5.0 -8.88 -1.14 1
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229385 87567522 1 NPSO2C9H21 ABCD2E9F21 -138.88 1.87 0.0 0.0 0
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229386 87567525 1 SO2C20H30 AB2C20D30 -58.64 2.36 -9.38 -0.3 0
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229387 87567531 1 S2N4O9C20H32 A2B4C9D20E32 -394.01 7.39 -9.68 -0.84 0
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229388 87567532 1 SF3N3O5C17H22 AB3C3D5E17F22 -339.73 6.14 -8.81 -0.84 0
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229389 87567533 1 SN3O3C15H21 AB3C3D15E21 -100.04 6.27 -8.7 -0.29 0
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229390 87567534 1 FCl2O2S2N4C21H25 AB2C2D2E4F21G25 -71.74 5.22 -9.07 -1.45 0
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229391 87567535 1 FO2S2N4C21H23 AB2C2D4E21F23 -2.56 4.58 -8.98 -1.41 0
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229392 87567540 1 ClN2F7H18C23 AB2C7D18E23 -326.09 6.94 -9.53 -1.25 0
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229393 87567542 2 O2C8H15 A2B8C15 -238.21 1.54 -10.88 0.72 0
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229394 87567543 1 S2F3O5C35H47 A2B3C5D35E47 -349.17 3.8 -8.58 -1.5 0
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229395 87567544 1 SF3O5C35H45 AB3C5D35E45 -347.72 3.92 -8.56 -1.49 0