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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167506 74838091 2 N2O2C11H14 A2B2C11D14 -114.87 2.44 -8.81 0.16 0
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167507 74838439 1 F2N3O3C21H23 A2B3C3D21E23 -122.28 2.77 -8.62 -1.1 0
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167508 74838696 1 N3O4C13H17 A3B4C13D17 -111.65 4.92 -8.44 0.2 0
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167509 74839630 1 ON3F5H16C18 AB3C5D16E18 -232.1 8.28 -9.18 -1.06 0
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167510 74840064 1 ClFON3C17H17 ABCD3E17F17 -31.16 7.93 -8.96 -0.83 0
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167511 74840265 1 N3O5C25H29 A3B5C25D29 -142.51 7.33 -8.61 -0.47 0
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167512 74840872 1 ClO2N3C22H26 AB2C3D22E26 -32.25 5.8 -8.79 -0.2 0
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167513 74840873 1 O2N3C22H33 A2B3C22D33 -69.37 4.51 -8.51 -0.03 0
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167514 74840874 1 O2N3C23H29 A2B3C23D29 -29.36 2.17 -8.52 -0.08 0
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167515 74841314 1 N3O4C24H27 A3B4C24D27 -45.66 8.1 -9.59 -1.35 0
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167516 74841315 1 N3O6C23H27 A3B6C23D27 -115.52 4.87 -8.3 -1.72 0
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167517 74841316 1 ClF3N3O3C32H33 AB3C3D3E32F33 -222.86 6.88 -9.22 -0.59 0
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167518 74841317 3 FNOC11H12 ABCD11E12 -220.33 5.01 -9.15 -0.53 0
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167519 74841330 1 N2O2Cl3C31H31 A2B2C3D31E31 -39.27 2.55 -9.25 -0.94 0
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167520 74841560 1 ClSO2N3H14C16 ABC2D3E14F16 74.14 2.11 -9.27 -1.86 0
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167521 74841561 1 O2N3C21H31 A2B3C21D31 -97.51 8.52 -9.06 0.08 0
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167522 74841562 1 N3O3H23C24 A3B3C23D24 3.67 6.99 -9.42 -1.4 0
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167523 74841563 1 ClO2N4C18H23 AB2C4D18E23 -44.51 2.27 -9.47 -1.58 0
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167524 74841564 1 ClO2N4C20H27 AB2C4D20E27 -58.98 6.41 -9.04 -1.98 0
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167525 74842280 1 BrClO2N5C21H31 ABC2D5E21F31 -93.27 5.78 -9.23 -0.41 0
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167526 74842430 1 FO2N3H24C27 AB2C3D24E27 -29.43 5.37 -9.24 -0.78 0
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167527 74843177 2 N2C10H11 A2B10C11 94.97 6.04 -8.62 -0.74 1
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167528 74843942 1 SN2O4C20H23 AB2C4D20E23 -81.92 3.19 0.0 0.0 0
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167529 74843996 1 ClFN3O3C23H27 ABC3D3E23F27 -121.69 3.35 -9.27 -0.54 1
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167530 74843997 1 SN2O5C22H27 AB2C5D22E27 -128.9 4.29 0.0 0.0 0
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167531 74844164 2 NO2C12H12 AB2C12D12 -56.31 1.32 -8.82 -0.66 1
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167532 74844225 1 O4N5C23H28 A4B5C23D28 -47.03 6.29 0.0 0.0 1
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167533 74844226 1 ClO2N5C25H31 AB2C5D25E31 0.39 3.65 0.0 0.0 0
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167534 74844252 1 O3N4C20H22 A3B4C20D22 -79.14 3.06 -8.98 -0.53 1
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167535 74844290 1 NS2O4C16H24 AB2C4D16E24 -142.12 6.12 0.0 0.0 1
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167536 74844506 1 S2N3O5C23H32 A2B3C5D23E32 -167.16 7.81 0.0 0.0 1
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167537 74844507 1 S2N3O6C19H26 A2B3C6D19E26 -186.28 6.93 0.0 0.0 1
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167538 74844508 1 ON4C26H31 AB4C26D31 69.56 17.13 0.0 0.0 0
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167539 74844509 1 ON4C26H30 AB4C26D30 49.41 4.61 -8.66 -1.16 1
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167540 74844510 1 O2N3C26H34 A2B3C26D34 -8.46 5.79 0.0 0.0 0
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167541 74844702 1 ClO3N5C23H30 AB3C5D23E30 -70.6 7.19 -9.46 -0.52 1
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167542 74844856 1 SN2O5C17H21 AB2C5D17E21 -108.08 8.63 0.0 0.0 1
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167543 74845045 1 NS2O4C19H24 AB2C4D19E24 -108.41 6.21 0.0 0.0 1
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167544 74845046 1 FN2O2C19H30 AB2C2D19E30 -124.7 4.88 0.0 0.0 1
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167545 74845047 1 ON6C21H33 AB6C21D33 23.44 5.04 0.0 0.0 1
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167546 74845048 1 NS2O4C20H26 AB2C4D20E26 -118.77 6.31 0.0 0.0 1
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167547 74845049 1 NS2O5C20H26 AB2C5D20E26 -147.81 7.42 0.0 0.0 0
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167548 74845151 1 SN2O3C22H26 AB2C3D22E26 -82.16 2.56 -9.14 -0.06 1
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167549 74845152 1 SN2O5C22H27 AB2C5D22E27 -126.15 3.47 0.0 0.0 0
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167550 74845169 1 SN2O4C19H22 AB2C4D19E22 -115.04 2.28 -9.21 0.0 1
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167551 74845170 1 FSN2O3C21H24 ABC2D3E21F24 -110.76 3.39 0.0 0.0 0
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167552 74845178 1 SN2O5C22H24 AB2C5D22E24 -146.36 2.38 -8.94 -0.33 1
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167553 74845206 1 O2N3C24H38 A2B3C24D38 -83.87 4.43 0.0 0.0 0
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167554 74845511 1 N2O3C25H28 A2B3C25D28 -75.6 3.5 -9.3 -0.61 0
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167555 74845512 1 N2O3C25H28 A2B3C25D28 -75.84 6.06 -9.17 -0.42 0