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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81268 49854528 1 O3N4C19H22 A3B4C19D22 -73.93 4.15 -8.93 -0.33 0
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81269 49854530 1 SO3N4C19H20 AB3C4D19E20 -63.22 4.02 -8.63 -0.73 0
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81270 49854532 1 N4O4C19H22 A4B4C19D22 -115.36 8.21 -9.16 -0.54 0
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81271 49854533 1 ON5C17H17 AB5C17D17 24.68 8.83 -8.6 -0.75 0
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81272 49854535 1 O4N6C21H22 A4B6C21D22 -62.47 5.48 -9.13 -2.22 0
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81273 49854536 1 O4N6C21H22 A4B6C21D22 -61.78 4.77 -9.32 -2.15 0
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81274 49854537 1 N2O4F6C27H28 A2B4C6D27E28 -474.21 3.29 -8.71 -1.37 0
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81275 49854538 1 N2O5F6C25H26 A2B5C6D25E26 -504.89 4.48 -8.72 -1.25 0
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81276 49854539 1 NO3H17C19 AB3C17D19 -85.92 2.7 -8.85 -0.72 0
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81277 49854540 1 ClSN2O5C32H53 ABC2D5E32F53 -253.42 8.74 -9.23 -0.25 0
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81278 49854542 1 NO10C27H31 AB10C27D31 -402.55 9.2 -9.06 -2.01 1
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81279 49854543 1 NaO2C3N3H9 AB2C3D3E9 -32.95 6.7 0.0 0.0 0
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81280 49854544 1 N2O6H24C25 A2B6C24D25 -162.24 12.05 -9.03 -0.92 0
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81281 49854545 3 NO2C7H7 AB2C7D7 -188.39 12.69 -8.79 -1.1 0
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81282 49854547 1 FSO3N5C19H20 ABC3D5E19F20 -76.65 3.62 -8.45 -0.4 0
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81283 49854549 1 FSO4N5C19H20 ABC4D5E19F20 -104.3 6.83 -8.28 -0.47 0
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81284 49854551 1 BrSO3N5H16C17 ABC3D5E16F17 -29.12 5.9 -8.84 -0.66 0
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81285 49854552 1 BrClFSO2N5H16C17 ABCDE2F5G16H17 -61.39 5.33 -8.94 -0.47 0
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81286 49854553 1 BrFSO2N5H15C17 ABCD2E5F15G17 -33.25 7.57 -8.66 -0.64 0
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81287 49854554 1 O2N7C30H43 A2B7C30D43 -29.57 3.0 -8.6 -0.05 0
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81288 49854555 1 SN3O3C14H17 AB3C3D14E17 -67.47 2.8 -9.3 -1.04 0
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81289 49854557 1 O11C27H38 A11B27C38 -510.47 7.89 -10.52 -0.84 0
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81290 49854558 2 O5C13H17 A5B13C17 -447.5 4.03 -9.76 -1.26 0
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81291 49854559 1 O3H10C16 A3B10C16 -49.84 3.57 -9.13 -1.33 0
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81292 49854561 1 S2N9O10C27H39 A2B9C10D27E39 -308.13 7.35 -9.72 -1.75 0