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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173311 75622650 1 SO4N5C16H21 AB4C5D16E21 -113.8 4.35 -8.82 -0.59 1
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173312 75622651 1 ClSN4O4C17H24 ABC4D4E17F24 -152.45 2.23 0.0 0.0 1
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173313 75622652 1 SN3O4C18H26 AB3C4D18E26 -149.44 2.71 0.0 0.0 0
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173314 75622653 1 SN3O4C15H21 AB3C4D15E21 -142.66 1.92 -9.56 -0.44 0
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173315 75622654 1 ClNSO4C14H20 ABCD4E14F20 -137.15 4.17 -9.78 -1.05 0
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173316 75622655 2 NSO2C8H9 ABC2D8E9 -95.17 11.11 -9.9 -1.13 0
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173317 75622656 1 ClSN2O2C20H23 ABC2D2E20F23 -28.37 4.17 -9.03 -0.83 0
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173318 75622657 1 NSO4C16H23 ABC4D16E23 -134.91 5.1 -9.76 -0.79 0
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173319 75622658 1 SN3O5C15H21 AB3C5D15E21 -179.96 1.73 -8.78 -0.46 0
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173320 75622659 1 ClNSO4C14H18 ABCD4E14F18 -156.34 6.0 -9.8 -1.21 1
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173321 75622660 1 SN3O6C12H20 AB3C6D12E20 -247.41 6.63 0.0 0.0 0
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173322 75623035 1 ClSN2O4H15C16 ABC2D4E15F16 -98.41 7.94 -9.43 -1.14 0
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173323 75623036 1 SN2O6C18H20 AB2C6D18E20 -177.38 10.52 -8.62 -0.67 0
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173324 75623037 1 FSN2O4H15C16 ABC2D4E15F16 -138.42 3.99 -9.63 -0.98 0
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173325 75623200 1 ClN3O3C17H18 AB3C3D17E18 -51.27 6.6 -8.85 -0.4 0
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173326 75623224 1 O3N4C19H26 A3B4C19D26 -119.84 4.65 -8.61 -0.12 0
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173327 75623225 1 O2F3N5C18H22 A2B3C5D18E22 -205.68 2.72 -9.31 -1.04 0
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173328 75623226 1 N2O4C19H26 A2B4C19D26 -157.57 4.59 -8.9 -0.78 0
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173329 75623549 1 NO5C21H21 AB5C21D21 -151.49 3.05 -9.11 -0.92 0
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173330 75624512 1 FN3O3C20H26 AB3C3D20E26 -117.51 7.08 -9.01 -0.69 0
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173331 75624513 1 O2N5C22H27 A2B5C22D27 13.91 6.76 -8.95 -0.92 0
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173332 75624514 1 N3O3C23H29 A3B3C23D29 -64.78 1.73 -9.02 -0.56 0
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173333 75624526 1 N2O4C21H22 A2B4C21D22 -79.55 6.23 -8.63 -0.85 0
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173334 75624562 1 N3O3C17H17 A3B3C17D17 -56.05 7.64 -8.19 -0.84 0
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173335 75624660 1 SO2N4C19H22 AB2C4D19E22 3.8 8.75 -8.61 -1.02 0