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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9372 88663 2 OC8H15 AB8C15 -140.67 1.76 -9.44 0.85 0
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9373 88667 1 O2C7H12 A2B7C12 -94.5 1.57 -10.04 0.72 0
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9374 88672 1 N2O3C19H22 A2B3C19D22 -55.14 0.65 -8.55 -0.94 0
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9375 88675 2 NC7H9 AB7C9 51.55 2.14 -7.76 -0.05 0
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9376 88678 1 NOH15C19 ABC15D19 31.58 3.91 -8.68 -0.52 0
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9377 88725 1 B2O6C9H18 A2B6C9D18 -408.19 8.65 -10.04 0.78 0
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9378 88753 1 N2S2O6C27H34 A2B2C6D27E34 -199.95 7.2 -8.1 -1.24 0
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9379 88761 1 ClN3H4C6 AB3C4D6 106.6 4.22 -9.55 -1.71 0
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9380 88764 1 BrN3C14H16 AB3C14D16 23.95 1.36 -8.87 -0.52 0
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9381 88767 1 OCl2N2C18H24 AB2C2D18E24 -62.58 4.91 -8.98 -0.08 0
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9382 88785 1 BrO9C13H17 AB9C13D17 -394.93 3.25 -10.48 -0.86 0
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9383 88817 1 Br2N3C22H31 A2B3C22D31 34.74 2.99 -8.19 -1.3 0
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9384 88820 1 N2O3C8H8 A2B3C8D8 17.39 3.86 -9.8 -0.72 0
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9385 88824 1 SO5H8C10 AB5C8D10 -160.98 4.34 -10.3 -1.09 0
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9386 88825 1 NO2C9H11 AB2C9D11 -52.79 5.49 -9.31 -0.56 0
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9387 88830 1 OF6H8C15 AB6C8D15 -304.48 3.88 -10.35 -1.54 0
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9388 88862 1 NSH7C9 ABC7D9 64.26 1.91 -8.87 -0.69 0
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9389 88944 1 O3C10H12 A3B10C12 -113.4 6.29 -9.3 -0.58 0
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9390 88982 1 NaN2O3C11H17 AB2C3D11E17 -201.56 8.43 -9.55 0.03 0
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9391 88992 1 SiN2O2C8H18 AB2C2D8E18 -156.3 1.79 -9.22 0.72 0
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9392 88994 1 N2I3O4H11C12 A2B3C4D11E12 -83.56 7.64 -9.91 -1.98 0
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9393 89013 1 NO3C11H13 AB3C11D13 -108.49 1.88 -10.19 -0.94 0
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9394 89014 1 NC13H19 AB13C19 12.4 3.35 -9.17 1.21 0
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9395 89016 1 NO2C7H15 AB2C7D15 -120.91 2.54 -9.78 0.93 0
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9396 89020 1 NO2C4H9 AB2C4D9 -95.55 1.97 -9.86 0.56 0
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9397 89021 1 N2C7H10 A2B7C10 15.23 1.28 -8.76 0.26 0
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9398 89049 2 O3C6H8 A3B6C8 -236.78 2.57 -9.28 0.02 0
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9399 89120 1 NS3O9C12H23 AB3C9D12E23 -365.23 7.56 -8.57 -0.74 0
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9400 89122 1 NOC11H12 ABC11D12 4.05 1.19 0.0 0.0 1
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9401 89131 1 NSP2O6C9H23 ABC2D6E9F23 -417.57 2.96 -9.39 -0.12 0
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9402 89136 1 NP2S2O5C10H25 AB2C2D5E10F25 -389.99 5.38 -9.49 -0.59 0
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9403 89195 1 O3C22H32 A3B22C32 -114.69 1.6 -8.84 1.36 0
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9404 89196 2 O2H4C5 A2B4C5 -127.63 0.47 -10.59 -1.56 0
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9405 89205 2 NSC10H12 ABC10D12 57.73 2.48 -8.08 -0.31 0
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9406 89207 2 NOSC10H12 ABCD10E12 -28.94 6.03 -8.28 -0.71 0
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9407 89270 2 NOC4H7 ABC4D7 -113.82 6.34 -10.15 0.85 0
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9408 89319 1 I2O2S2N4C21H28 A2B2C2D4E21F28 -31.71 12.12 -7.23 -1.95 0
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9409 89325 1 NOCl2C14H19 ABC2D14E19 -68.27 2.9 -8.74 -0.06 0
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9410 89339 1 O4C21H28 A4B21C28 -176.77 5.1 -9.85 -0.44 0
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9411 89378 1 O3C5H10 A3B5C10 -128.98 1.6 -9.78 1.57 0
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9412 89379 2 OC7H14 AB7C14 -152.55 1.81 -10.5 0.96 0
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9413 89383 2 OC6H11 AB6C11 -139.11 2.29 -10.45 0.98 0
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9414 89394 1 NOC7H15 ABC7D15 -63.52 3.53 -8.85 2.55 0
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9415 89398 1 O3C24H34 A3B24C34 -139.22 2.59 -9.03 0.7 0
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9416 89402 1 N3O4C18H23 A3B4C18D23 -149.02 9.82 -9.43 -0.37 0
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9417 89419 1 ClN3C12H18 AB3C12D18 11.88 2.88 -8.91 0.21 0
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9418 89426 1 Br2N2C19H26 A2B2C19D26 35.04 7.86 -8.04 -0.71 0
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9419 89427 1 N2C19H26 A2B19C26 93.9 13.54 -5.91 -0.52 2
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9420 89430 1 OC16H34 AB16C34 -128.14 2.12 -10.28 2.84 0
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9421 89436 2 OC7H15 AB7C15 -156.32 2.06 -10.36 2.14 0