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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150383 53790072 2 NO2C7H10 AB2C7D10 -130.07 2.03 -9.51 -0.41 0
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150384 53790073 1 FN4O4C34H39 AB4C4D34E39 -151.83 3.37 -8.87 -1.43 0
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150385 53790074 1 ClON3C16H20 ABC3D16E20 -17.32 0.67 -9.34 -0.66 0
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150386 53790075 1 H5Br7C9 A5B7C9 33.58 1.08 -10.0 -1.41 0
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150387 53790076 1 FSiC26H37 ABC26D37 -34.23 2.89 -9.11 0.07 0
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150388 53790077 1 ClSN3O3C25H34 ABC3D3E25F34 -97.59 8.84 -8.39 -0.31 0
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150389 53790078 2 NOC19H38 ABC19D38 -260.24 3.67 -9.63 1.15 0
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150390 53790079 1 N3O5C22H27 A3B5C22D27 -191.76 8.37 -9.9 -1.08 0
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150391 53790080 1 H5C6F9 A5B6C9 -480.52 2.06 -12.96 0.59 0
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150392 53790081 1 ClSO2F3N5C17H19 ABC2D3E5F17G19 -140.69 6.36 -9.38 -1.55 0
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150393 53790082 1 N2F3O3H15C19 A2B3C3D15E19 -194.66 4.05 -9.49 -0.69 0
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150394 53790083 1 N2O3C24H28 A2B3C24D28 -102.58 8.01 -8.34 -0.82 0
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150395 53790084 2 NSO2C8H8 ABC2D8E8 -116.57 6.37 -8.55 -1.11 0
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150396 53790085 1 FO3C27H33 AB3C27D33 -148.6 5.67 -9.27 -0.69 0
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150397 53790086 2 ClC5H8 AB5C8 -48.77 3.98 -9.97 0.65 0
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150398 53790087 1 FNO2C14H18 ABC2D14E18 -128.8 3.3 -9.61 -0.18 0
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150399 53790088 1 NC13H21 AB13C21 -3.3 2.65 -8.35 0.22 0
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150400 53790089 1 N2O5C8H14 A2B5C8D14 -203.23 4.56 -9.78 -0.08 0
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150401 53790090 1 FN2O3C22H25 AB2C3D22E25 -125.17 4.35 -8.37 -0.28 0
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150402 53790091 1 ClFN2O2H18C20 ABC2D2E18F20 -64.55 4.33 -9.4 -0.7 0
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150403 53790092 2 NO2C12H17 AB2C12D17 -154.49 2.62 -8.68 0.12 0
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150404 53790093 3 OC8H8 AB8C8 -69.15 6.27 -8.8 -0.55 0
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150405 53790094 1 N2O2C9H10 A2B2C9D10 -32.62 4.21 -8.98 -0.39 0
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150406 53790096 1 NO2C16H19 AB2C16D19 -40.51 4.37 -9.12 -0.62 1
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150407 53790097 1 SO2N5C11H20 AB2C5D11E20 20.58 8.64 0.0 0.0 0
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150408 53790098 1 Cl3N5C15H20 A3B5C15D20 20.6 4.26 -8.52 -0.62 0
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150409 53790099 1 O3H8C9 A3B8C9 -76.05 7.49 -10.35 -1.09 0
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150410 53790100 1 ClN3H20C23 AB3C20D23 73.32 5.39 -8.91 -0.67 0
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150411 53790101 1 ClO3N8C26H33 AB3C8D26E33 -47.71 9.98 -9.11 -1.21 1
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150412 53790102 1 ClN2O3C21H22 AB2C3D21E22 -37.13 5.38 0.0 0.0 0
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150413 53790103 1 ON2C7H16 AB2C7D16 -68.98 3.92 -9.42 1.23 0
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150414 53790104 1 N7O7C29H43 A7B7C29D43 -282.72 8.79 -8.93 -0.48 0
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150415 53790105 1 PSC3O4H7 ABC3D4E7 -247.24 4.46 -10.06 -0.02 0
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150416 53790106 1 NO4C17H27 AB4C17D27 -117.54 4.67 -9.65 -0.41 0
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150417 53790107 1 PSH23C35 ABC23D35 186.67 0.62 -8.06 -1.32 0
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150418 53790108 1 NOC8H9 ABC8D9 3.3 3.44 -8.63 -0.02 0
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150419 53790109 1 O5N6C38H54 A5B6C38D54 -102.12 6.55 -8.58 -1.43 0
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150420 53790110 2 NO2C11H11 AB2C11D11 -100.21 3.5 -9.51 -0.84 0
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150421 53790111 1 FC2H3O3 AB2C3D3 -182.09 1.35 -12.22 -0.24 0
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150422 53790112 1 N2O5H6C11 A2B5C6D11 21.31 7.18 -10.55 -2.57 0
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150423 53790113 1 O2C9H14 A2B9C14 -84.99 2.43 -9.59 0.57 0
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150424 53790114 1 O2C25H36 A2B25C36 -90.47 4.36 -8.81 -0.75 0
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150425 53790115 1 N2S2O6C17H18 A2B2C6D17E18 -170.13 10.05 -9.31 -0.82 0
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150426 53790116 1 N2S2O6C17H18 A2B2C6D17E18 -172.79 6.94 -9.18 -0.71 0
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150427 53790117 1 N2O2H8C9 A2B2C8D9 -23.26 4.89 -10.24 -1.42 0
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150428 53790118 1 Cl2O3H14C17 A2B3C14D17 -84.81 2.22 -9.55 -0.85 0
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150429 53790119 2 O6C17H22 A6B17C22 -212.41 4.03 -8.6 -1.14 0
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150430 53790120 1 NC10H11 AB10C11 53.85 2.15 -8.84 -0.53 0
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150431 53790121 1 N3O4H25C30 A3B4C25D30 -39.29 7.86 -8.54 -1.56 0
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150432 53790122 1 F3H17C18 A3B17C18 -99.13 4.24 -8.93 -0.54 0