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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9322 87927 1 OC8H14 AB8C14 -54.31 3.31 -9.7 0.73 0
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9323 87935 2 NOC10H12 ABC10D12 -77.99 9.48 -8.62 -1.21 0
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9324 87942 2 OC13H25 AB13C25 -187.86 1.56 -9.46 0.86 0
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9325 87955 1 SeN2O2H4C7 AB2C2D4E7 55.82 4.14 -9.75 -1.94 0
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9326 87956 1 O5C17H26 A5B17C26 -234.65 0.94 -9.22 -0.88 0
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9327 88000 1 N3O8C10H15 A3B8C10D15 -333.19 5.8 -9.59 -0.71 0
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9328 88001 1 NO3H13C20 AB3C13D20 -35.92 1.89 -8.36 -1.81 0
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9329 88034 1 ClC13H19 AB13C19 -33.6 2.22 -9.09 0.13 0
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9330 88038 2 C5H11 A5B11 -51.34 0.06 -10.52 4.11 0
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9331 88049 1 NaPSC2N2O3H6 ABCD2E2F3G6 -235.77 8.47 -8.8 0.11 0
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9332 88052 1 NC5O5H7 AB5C5D7 -216.33 4.33 -11.02 -0.45 0
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9333 88064 1 NO3C5H9 AB3C5D9 -147.25 6.27 -10.28 0.3 0
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9334 88069 3 OH2C3 AB2C3 -87.93 7.56 -10.58 -1.67 0
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9335 88071 1 HgN3C14H14 AB3C14D14 130.08 3.69 0.0 0.0 0
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9336 88077 1 SN4O5C25H26 AB4C5D25E26 -124.5 9.11 -8.5 -1.17 0
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9337 88078 1 O2C13H24 A2B13C24 -140.45 2.06 -10.33 0.89 0
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9338 88079 1 N2O3C8H16 A2B3C8D16 -149.28 6.42 -10.21 0.33 0
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9339 88083 1 N3C9H23 A3B9C23 -12.24 2.26 -8.62 2.78 0
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9340 88099 1 O2H12C13 A2B12C13 -35.55 5.62 -8.79 -0.92 0
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9341 88101 1 ClSN3H8C10 ABC3D8E10 55.61 3.67 -9.07 -1.2 0
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9342 88102 1 KNO2C8H8 ABC2D8E8 -108.85 7.42 -8.25 0.17 0
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9343 88130 1 Cl2N3O3C16H23 A2B3C3D16E23 -144.02 6.39 -8.83 -0.13 0
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9344 88138 1 NO2Br3H10C11 AB2C3D10E11 -60.97 5.53 -9.07 -0.89 0
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9345 88143 1 ClFNO5C25H27 ABCD5E25F27 -238.78 6.89 -9.17 -0.89 0
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9346 88196 1 Cl5H9C15 A5B9C15 20.26 1.22 -9.55 -0.64 0
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9347 88267 1 OC9H12 AB9C12 -39.75 2.23 -9.3 0.26 0
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9348 88306 1 N2C17H22 A2B17C22 12.9 2.6 -8.07 0.5 0
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9349 88310 1 NOC9H9 ABC9D9 7.38 3.66 -9.13 -0.08 0
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9350 88311 3 O2C9H16 A2B9C16 -149.15 1.65 -8.86 0.24 0
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9351 88312 1 N2H14C17 A2B14C17 90.44 2.08 -8.61 -0.45 0
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9352 88313 1 PO3C8H19 AB3C8D19 -225.86 1.13 -9.96 1.19 0
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9353 88318 1 NC5H13 AB5C13 -21.47 1.45 -8.73 3.15 0
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9354 88324 1 NS2C4H7 AB2C4D7 20.52 1.67 -8.91 -0.17 0
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9355 88341 1 NO2C29H45 AB2C29D45 -139.93 3.51 -8.73 -0.68 0
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9356 88403 2 O2C13H13 A2B13C13 -112.06 0.93 -9.35 -0.85 0
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9357 88413 2 O3H7C8 A3B7C8 -201.64 5.9 -9.47 -0.6 0
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9358 88448 2 BrNOH13C14 ABCD13E14 65.53 24.34 -6.53 -3.09 0
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9359 88449 2 NOH13C14 ABC13D14 112.57 1.47 -4.15 -2.82 2
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9360 88472 2 OC10H20 AB10C20 -180.19 1.55 -10.55 0.87 0
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9361 88529 1 O3H12C13 A3B12C13 -75.4 2.72 -9.55 -0.3 0
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9362 88536 2 NOH10C14 ABC10D14 62.61 3.67 -8.48 -0.88 0
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9363 88543 1 NO4C8H9 AB4C8D9 -152.42 4.15 -10.09 -1.33 0
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9364 88604 1 ClO2N3C21H24 AB2C3D21E24 -36.69 4.39 -8.66 -0.71 0
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9365 88605 1 O2N3C21H23 A2B3C21D23 3.03 2.3 -8.48 -0.59 0
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9366 88620 4 H4C5 A4B5 61.59 0.25 -8.11 -0.75 0
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9367 88622 3 H6C7 A6B7 63.89 1.3 -7.93 -0.66 0
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9368 88629 1 ZrC4O5H6 AB4C5D6 -324.83 5.45 -9.65 -1.57 0
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9369 88640 1 GaHO2 ABC2 -37.23 3.29 -11.7 -1.8 0
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9370 88646 1 NO2C7H17 AB2C7D17 -105.66 2.11 -9.05 1.82 0
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9371 88647 1 F2H4N4C5O11 A2B4C4D5E11 -199.31 2.53 -11.99 -2.27 0
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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