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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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182258 76865449 1 FO2N5C28H32 AB2C5D28E32 -42.98 7.41 -8.92 -0.97 0
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182259 76865670 1 FOSN3H18C19 ABCD3E18F19 -31.09 5.17 -8.7 -0.57 0
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182260 76865828 1 ClNSO3H18C20 ABCD3E18F20 -28.52 1.88 -9.02 -0.71 0
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182261 76866566 1 BrNSO3C14H20 ABCD3E14F20 -81.09 5.45 -9.34 -1.08 0
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182262 76866567 2 FNOH10C12 ABCD10E12 -96.45 4.02 -9.09 -0.93 0
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182263 76866605 1 FN3O3H20C25 AB3C3D20E25 -57.72 1.43 -9.05 -1.23 0
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182264 76867238 1 FO2N3C17H18 AB2C3D17E18 -52.2 6.95 -8.79 -0.2 0
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182265 76867578 1 ClN3O4C24H26 AB3C4D24E26 -151.1 2.58 -8.54 -0.26 0
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182266 76867579 1 O3N7C26H35 A3B7C26D35 -57.27 9.0 -8.85 -0.27 0
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182267 76867580 1 ClN3O3C24H26 AB3C3D24E26 -81.52 4.65 -9.24 -0.45 0
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182268 76868621 1 OS2N3C21H21 AB2C3D21E21 49.61 3.52 -9.05 -1.34 0
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182269 76869033 1 NO4C19H27 AB4C19D27 -136.18 2.9 -8.14 0.24 0
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182270 76869066 1 ClNSF3O3C13H13 ABCD3E3F13G13 -266.1 3.24 -10.4 -1.33 0
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182271 76869252 1 BrSO2N3H20C22 ABC2D3E20F22 9.68 8.78 -8.9 -0.63 0
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182272 76869547 2 N2O2C9H9 A2B2C9D9 -4.72 7.11 -8.62 -1.44 0
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182273 76869663 1 ClFO3N4H24C26 ABC3D4E24F26 -96.32 5.7 -8.78 -1.14 0
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182274 76869683 1 N2O5C22H26 A2B5C22D26 -161.98 8.61 -8.65 -0.63 0
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182275 76869684 1 SN2F3O4C18H19 AB2C3D4E18F19 -268.95 3.92 -9.47 -0.92 0
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182276 76869685 1 O2N3C24H29 A2B3C24D29 -4.07 4.51 -7.92 -0.72 0
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182277 76869686 1 INO4C20H22 ABC4D20E22 -85.12 4.86 -8.91 -1.55 0
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182278 76869798 1 SF2O2N3H13C20 AB2C2D3E13F20 26.06 2.11 -9.3 -1.82 0
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182279 76870046 1 BrClNO4H17C18 ABCD4E17F18 -106.55 7.73 -8.83 -1.34 0
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182280 76870666 1 FN2O3C24H27 AB2C3D24E27 -134.31 5.48 -8.75 -0.69 0
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182281 76870667 1 N2O3C24H28 A2B3C24D28 -85.86 7.01 -8.67 -0.67 0
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182282 76870668 1 SN3O4C18H19 AB3C4D18E19 -59.09 4.4 -9.56 -1.25 0
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182283 76870669 1 Cl2O3N4C23H32 A2B3C4D23E32 -151.35 5.64 -8.98 -0.73 0
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182284 76870670 1 FSO3N4H21C24 ABC3D4E21F24 -59.06 2.97 -8.6 -1.22 0
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182285 76870671 1 BrSN2O4C19H21 ABC2D4E19F21 -111.67 10.8 -8.52 -0.89 0
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182286 76870795 1 FN2O2H19C20 AB2C2D19E20 -60.49 4.88 -8.79 -1.22 0
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182287 76870821 1 ClN3O3C24H24 AB3C3D24E24 -15.66 5.57 -8.99 -0.81 0
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182288 76871622 1 ClO3N4C22H31 AB3C4D22E31 -140.38 3.13 -8.92 -0.46 0
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182289 76871629 1 N3O4C18H21 A3B4C18D21 -10.01 4.91 -8.95 -1.25 0
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182290 76871630 1 N3O3C20H21 A3B3C20D21 7.21 5.04 -8.03 -1.7 1
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182292 76871712 1 N3O3C21H31 A3B3C21D31 -149.31 5.12 -7.93 0.39 1
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182293 76871933 1 NPO8C32H65 ABC8D32E65 -507.21 3.19 0.0 0.0 0
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182294 76872223 1 BrNO4C14H16 ABC4D14E16 -135.22 5.99 -9.18 -0.91 0
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182295 76872224 1 N3O4C9H11 A3B4C9D11 -103.44 1.98 -9.91 -1.64 0
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182296 76872698 1 O2N4C15H22 A2B4C15D22 -73.45 3.27 -9.44 -0.21 0
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182297 76872699 1 O2N4C13H26 A2B4C13D26 -117.97 4.29 -9.62 -0.13 0
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182298 76872725 2 ON2C6H12 AB2C6D12 -113.86 3.26 -9.68 -0.18 0
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182299 76872729 1 N4O4C11H22 A4B4C11D22 -173.52 2.19 -9.75 -0.34 0
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182300 76872917 1 SO2N4C14H16 AB2C4D14E16 7.27 4.41 -8.68 -0.87 0
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182301 76873393 1 ON3C13H21 AB3C13D21 -5.41 4.76 -8.72 0.56 0
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182302 76873539 2 NOC7H7 ABC7D7 -15.38 4.99 -9.51 -1.51 0
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182303 76873540 1 Cl2O2N4C13H16 A2B2C4D13E16 -78.61 5.14 -9.56 -0.6 0
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182304 76873700 1 O3N4H10C12 A3B4C10D12 -48.89 6.34 -9.37 -1.05 0
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182305 76873881 1 FNO3H8C11 ABC3D8E11 -94.64 5.43 -9.52 -1.67 1
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182306 76873976 1 SN4O4C12H17 AB4C4D12E17 -121.21 8.99 0.0 0.0 1
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182307 76873977 1 O3N5C13H22 A3B5C13D22 -110.11 4.98 0.0 0.0 1
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182308 76873978 1 O2N5C14H26 A2B5C14D26 -71.81 3.11 0.0 0.0 1