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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81243 49854500 2 OF2N2C10H11 AB2C2D10E11 -245.17 2.19 -9.09 -0.44 0
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81244 49854501 1 O2F4N4C19H20 A2B4C4D19E20 -226.45 4.98 -8.92 -0.66 0
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81245 49854502 1 O2N4F5H17C18 A2B4C5D17E18 -281.59 1.61 -9.09 -0.84 0
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81246 49854503 1 O3N4F5H17C19 A3B4C5D17E19 -316.28 4.39 -9.27 -1.21 0
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81247 49854504 1 O3N4F5H17C19 A3B4C5D17E19 -316.7 2.88 -9.27 -1.16 0
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81248 49854506 3 NOH5C6 ABC5D6 0.77 4.91 -8.84 -1.31 0
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81249 49854507 1 N2O3H18C21 A2B3C18D21 -6.03 5.28 -8.47 -1.13 0
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81250 49854508 1 SN3O5C17H27 AB3C5D17E27 -169.04 4.65 -8.88 -0.4 0
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81251 49854509 1 SN3O6C17H25 AB3C6D17E25 -139.11 5.21 -9.68 -0.65 0
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81252 49854511 1 SN4O5C25H30 AB4C5D25E30 -112.03 5.19 -9.35 -0.84 0
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81253 49854512 1 SN3O6C24H33 AB3C6D24E33 -179.59 10.72 -9.1 -0.62 0
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81254 49854513 1 SN4O5C24H28 AB4C5D24E28 -104.25 2.42 -9.46 -1.01 0
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81255 49854514 1 O3N4H16C22 A3B4C16D22 -25.75 4.58 -9.56 -1.41 0
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81256 49854515 1 O3N5H23C25 A3B5C23D25 -19.87 3.85 -9.08 -1.5 0
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81257 49854517 1 O3N5C27H35 A3B5C27D35 -70.38 7.29 -8.53 -0.67 0
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81258 49854518 1 N6O6C25H28 A6B6C25D28 -139.4 1.95 -9.12 -0.99 0
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81259 49854519 1 ON2C18H26 AB2C18D26 -7.33 1.31 -8.24 0.3 0
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81260 49854520 1 ON2C18H22 AB2C18D22 60.7 2.08 -8.34 0.2 0
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81261 49854521 1 SN2O3C16H22 AB2C3D16E22 -79.05 6.66 -8.54 -0.05 0
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81262 49854522 1 SN2C15H20 AB2C15D20 45.84 1.09 -8.61 0.08 0
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81263 49854523 1 ON2C19H26 AB2C19D26 19.43 1.35 -8.31 0.28 0
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81264 49854524 1 SN3O5C18H23 AB3C5D18E23 -176.89 3.8 -8.95 -0.2 0
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81265 49854525 1 O4N5C19H21 A4B5C19D21 -62.43 2.46 -9.33 -0.57 0
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81266 49854526 1 FO3N4C19H21 AB3C4D19E21 -129.03 6.16 -9.12 -0.68 0
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81267 49854527 1 O3N4C19H22 A3B4C19D22 -73.44 8.07 -9.13 -0.44 0
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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