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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25345 623381 1 O5H12C15 A5B12C15 -143.48 3.64 -8.7 -0.55 0
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25346 623400 2 PC8H9 AB8C9 20.39 1.59 -8.5 0.29 0
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25347 623404 1 O3H14C21 A3B14C21 -39.42 5.02 -8.94 -1.45 0
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25348 623487 1 ClO2N5C10H16 AB2C5D10E16 -38.97 4.04 -9.25 -0.42 0
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25349 623488 1 PF3N3O7C15H25 AB3C3D7E15F25 -522.98 7.83 -10.43 -0.3 0
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25350 623489 16 OC2H2 AB2C2 -604.26 4.68 -8.65 -1.09 0
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25351 623490 1 IO2N3H16C17 AB2C3D16E17 10.44 3.38 -8.91 -1.1 0
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25352 623493 1 NSO4H11C15 ABC4D11E15 -90.25 2.17 -8.85 -0.85 0
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25353 623498 1 SiO5C24H48 AB5C24D48 -360.86 3.37 -9.63 0.55 0
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25354 623500 1 ClO2N3H8C13 AB2C3D8E13 33.7 5.56 -9.05 -1.16 0
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25355 623501 1 SO2N3H11C13 AB2C3D11E13 9.64 3.09 -8.4 -0.49 0
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25356 623502 1 N3O4H11C13 A3B4C11D13 51.49 0.56 -9.29 -1.56 0
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25357 623503 1 N4O7H8C12 A4B7C8D12 13.86 2.49 -9.9 -2.22 0
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25358 623504 1 N3O4H11C13 A3B4C11D13 24.94 8.82 -9.65 -1.6 0
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25359 623505 1 N3O4H11C13 A3B4C11D13 34.22 4.33 -9.91 -2.11 0
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25360 623540 2 BrOH5C7 ABC5D7 -43.04 2.2 -9.51 -1.18 0
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25361 623599 1 ClN6H11C12 AB6C11D12 82.64 3.72 -8.6 -0.52 0
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25362 623603 1 ClSF2N4H5C9 ABC2D4E5F9 -10.6 6.66 -9.27 -2.09 0
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25363 623633 1 C21H22 A21B22 58.41 0.53 -8.45 0.47 0
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25364 623635 1 O3C20H28 A3B20C28 -156.31 3.58 -9.79 -0.01 0
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25365 623636 1 ON2H14C18 AB2C14D18 68.92 3.25 -8.33 -1.0 0
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25366 623653 1 N4O5H6C11 A4B5C6D11 24.87 7.76 -9.27 -2.27 0
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25367 623702 1 N2H18C19 A2B18C19 88.2 4.2 -8.15 -0.54 0
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25368 623704 1 O3N4C13H14 A3B4C13D14 -47.3 2.04 -8.62 0.01 0
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25369 623867 2 NOC8H12 ABC8D12 -64.96 3.31 -8.06 0.25 0
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25370 623890 1 O2S3C11H16 A2B3C11D16 -67.63 2.72 -8.72 -1.46 0
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25371 623898 2 NO2C7H8 AB2C7D8 -159.76 7.43 -8.65 -0.72 0
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25372 623901 1 NO4C21H23 AB4C21D23 -154.48 11.91 -9.1 -0.78 0
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25373 623902 2 NO2C7H8 AB2C7D8 -106.95 5.48 -8.43 -0.33 0
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25374 623903 1 NO2S2H21C25 AB2C2D21E25 20.01 6.67 -8.37 -0.56 0
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25375 623904 2 OF3C5H5 AB3C5D5 -360.71 3.19 -9.46 -0.19 0
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25376 623905 1 OPN6C23H23 ABC6D23E23 99.86 7.41 -8.22 -0.36 0
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25377 623906 1 NO3H19C25 AB3C19D25 -7.14 3.22 -8.32 -1.18 0
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25378 623907 1 O3N4C13H16 A3B4C13D16 -60.44 6.06 -9.09 -0.53 -9
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25380 623909 1 SN4C14H20 AB4C14D20 15.17 3.67 -8.16 -0.18 0
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25381 623910 1 NO2H25C26 AB2C25D26 -19.31 2.2 -7.96 -0.75 0
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25382 623911 1 NSiO2C28H29 ABC2D28E29 -13.79 7.66 -8.83 -0.14 0
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25383 623913 1 OC19H32 AB19C32 -106.54 3.58 -9.48 0.84 0
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25384 623914 1 NO4C17H23 AB4C17D23 -140.9 2.45 -8.82 -0.68 0
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25385 623915 1 FSN2C15H17 ABC2D15E17 -4.29 4.36 -8.4 -0.54 0
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25386 623916 1 PSO2H13C14 ABC2D13E14 -91.03 2.62 -8.59 -0.42 0
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25387 623918 1 OCl2N2H10C15 AB2C2D10E15 11.1 3.51 -9.45 -1.11 0
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25388 623919 1 OC19H32 AB19C32 -110.72 2.33 -9.92 2.99 0
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25389 623921 1 FO3C16H17 AB3C16D17 -136.85 2.63 -8.57 -0.6 0
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25390 623972 1 SiN3C20H23 AB3C20D23 34.89 2.48 -8.48 -0.96 0
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25391 624012 1 NSiO2F3C11H14 ABC2D3E11F14 -272.69 4.45 -8.98 -0.65 0
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25392 624014 1 Br2N2O7H10C15 A2B2C7D10E15 -82.86 5.48 -9.53 -2.13 0
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25393 624046 1 N2O2H14C17 A2B2C14D17 49.96 6.63 -9.25 -1.23 0
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25394 624059 1 ON5H11C15 AB5C11D15 86.69 8.8 -8.59 -1.3 0
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25395 624090 1 ClNO3H12C14 ABC3D12E14 -90.8 5.98 -9.35 -1.11 0