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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147422 53787078 1 ClSN4O4C23H23 ABC4D4E23F23 -78.42 6.52 -9.02 -1.31 0
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147423 53787079 6 OC3H5 AB3C5 -210.97 5.53 -9.75 -0.62 0
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147424 53787080 1 FBr2O2H9C11 AB2C2D9E11 -90.66 2.76 -9.72 -0.86 1
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147425 53787081 1 N3H10C12 A3B10C12 94.57 3.0 0.0 0.0 0
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147426 53787082 1 N3O3C29H37 A3B3C29D37 -74.33 5.74 -8.12 -0.14 0
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147427 53787083 1 Cl2N2O2C29H30 A2B2C2D29E30 -24.66 2.71 -7.9 -0.42 0
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147428 53787084 1 Cl2N2O2C29H30 A2B2C2D29E30 -23.3 3.22 -7.79 -0.48 0
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147429 53787085 1 BrNO4C22H24 ABC4D22E24 -131.26 2.51 -8.44 -0.11 0
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147430 53787086 1 N3H49C62 A3B49C62 245.81 3.87 -7.81 -0.26 0
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147431 53787087 1 ClON4C11H15 ABC4D11E15 -21.98 1.85 -9.44 -0.2 0
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147432 53787088 1 FNC26H28 ABC26D28 5.59 3.78 -8.72 0.38 1
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147433 53787089 1 NC44H92 AB44C92 -167.98 0.29 0.0 0.0 0
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147434 53787090 1 NOC6H15 ABC6D15 -38.92 1.06 -9.48 1.63 0
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147435 53787091 1 PN7O8C14H18 AB7C8D14E18 -306.31 8.15 -9.42 -0.45 0
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147436 53787092 1 N3O3H23C26 A3B3C23D26 11.36 7.38 -8.33 -0.76 0
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147437 53787093 1 N3O3H23C26 A3B3C23D26 10.85 5.27 -8.67 -0.7 0
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147438 53787094 1 ClNOSH8C9 ABCDE8F9 -17.58 1.69 -9.17 -0.44 0
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147439 53787095 1 SN6C23H26 AB6C23D26 143.82 6.15 -8.73 -0.82 0
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147440 53787096 2 NC9H13 AB9C13 20.83 3.12 -7.85 0.53 0
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147441 53787097 1 O3N4H22C25 A3B4C22D25 6.76 3.85 -8.61 -0.9 0
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147442 53787098 2 FNC9H9 ABC9D9 -20.58 2.09 -8.91 -0.4 0
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147443 53787099 2 ON2C7H11 AB2C7D11 -64.61 4.48 -8.14 0.09 0
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147444 53787100 1 FN2O4C19H29 AB2C4D19E29 -227.17 8.47 -9.3 0.32 0
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147445 53787101 1 NOSC3H9 ABCD3E9 -37.36 3.01 -8.63 0.73 0
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147446 53787102 1 O5C39H48 A5B39C48 -166.99 3.7 -8.44 0.3 0
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147447 53787103 1 NO2C11H11 AB2C11D11 11.57 2.21 -8.33 -0.21 0
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147448 53787104 1 N4O4C11H18 A4B4C11D18 -190.86 5.47 -9.91 0.13 0
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147450 53787106 1 NOC8H11 ABC8D11 -27.09 0.91 -8.9 0.1 0
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147451 53787107 1 NOC8H11 ABC8D11 -27.08 0.91 -8.9 0.1 0
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147452 53787108 1 OF6H8C14 AB6C8D14 -291.86 3.96 -9.57 -0.96 0
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147453 53787109 1 NO3C13H23 AB3C13D23 -129.3 4.54 -10.52 0.16 0
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147454 53787110 1 SN2O3H8C10 AB2C3D8E10 -36.41 2.62 -9.21 -1.52 0
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147455 53787111 2 NO2C6H8 AB2C6D8 -84.55 7.67 -9.15 -0.77 0
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147456 53787112 2 O2C8H13 A2B8C13 -206.85 2.83 -10.02 0.13 0
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147457 53787113 1 O3N8C27H30 A3B8C27D30 11.21 3.27 -8.95 -0.7 0
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147458 53787114 2 ClNO2C8H8 ABC2D8E8 -144.83 2.82 -9.16 -1.03 1
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147459 53787115 1 N3C21H22 A3B21C22 72.61 2.06 0.0 0.0 0
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147460 53787116 1 ClNOC8H8 ABCD8E8 22.41 1.78 -9.62 -0.37 0
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147461 53787117 1 ClSN2O3C24H25 ABC2D3E24F25 -76.3 1.76 -8.59 -0.94 0
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147462 53787118 1 NO4C20H25 AB4C20D25 -176.42 8.73 -8.6 -0.4 0
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147463 53787119 1 O5C39H70 A5B39C70 -312.24 4.39 -9.09 0.44 0
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147464 53787120 1 NS2C7H13 AB2C7D13 -12.12 2.05 -8.9 -0.08 0
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147465 53787121 1 BrClO3H12C13 ABC3D12E13 -82.36 3.22 -9.39 -0.68 0
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147466 53787122 1 NO3C21H21 AB3C21D21 -71.33 3.74 -9.52 -0.55 0
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147467 53787123 1 O2C31H50 A2B31C50 -158.77 5.99 -9.43 0.01 0
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147468 53787124 1 O4C57H96 A4B57C96 -259.77 3.14 -9.14 0.5 0
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147469 53787125 1 SN4O4H10C12 AB4C4D10E12 -38.07 4.9 -9.76 -1.49 0
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147470 53787126 1 NSO4H15C17 ABC4D15E17 -107.74 6.28 -9.42 -0.85 0
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147471 53787127 1 NSO4H15C17 ABC4D15E17 -108.91 4.31 -9.25 -0.56 0
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147472 53787128 1 SN2O5H26C27 AB2C5D26E27 -111.94 3.24 -8.71 -0.87 1