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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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219339 85098822 1 P3N10O18C22H32 A3B10C18D22E32 -774.17 19.77 0.0 0.0 0
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219340 85098826 1 Cl2N5O5H45C46 A2B5C5D45E46 -91.7 5.75 -9.01 -0.75 0
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219341 85098829 1 N3O10C46H65 A3B10C46D65 -402.42 4.67 -8.95 -0.17 0
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219342 85098833 1 NiN4O4H42C50 AB4C4D42E50 157.19 5.57 -7.47 -0.63 0
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219343 85098835 4 N2O2C11H14 A2B2C11D14 -320.37 4.34 -8.73 -0.36 0
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219344 85098836 1 O9N10C40H60 A9B10C40D60 -383.37 6.4 -9.03 -0.34 0
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219345 85098853 1 ClPSN3O11H33C40 ABCD3E11F33G40 -199.54 21.73 -8.3 -1.78 1
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219346 85098854 1 PSN3O11H33C40 ABC3D11E33F40 -222.85 11.61 0.0 0.0 0
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219347 85145944 2 NO3C7H9 AB3C7D9 -245.85 2.62 -8.94 -1.0 0
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219348 85146933 1 SN3O3C19H27 AB3C3D19E27 -43.65 4.43 -8.99 -2.11 0
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219349 85146934 1 NO4C22H35 AB4C22D35 -217.02 6.09 -9.85 -0.31 0
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219350 85146937 1 BF2O3N4C17H21 AB2C3D4E17F21 -301.67 8.88 -8.46 -1.76 0
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219351 85146938 1 BrNO4H16C17 ABC4D16E17 -143.51 4.16 -9.37 -0.98 0
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219352 85146941 1 ClFN4O4H12C16 ABC4D4E12F16 -106.7 5.75 -10.11 -1.48 0
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219353 85147153 1 N3O5H19C21 A3B5C19D21 -105.28 7.47 -9.41 -1.99 0
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219354 85147155 1 N3O4C22H23 A3B4C22D23 -41.0 7.59 -9.45 -0.4 1
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219355 85147156 1 O3N5C21H22 A3B5C21D22 -10.71 1.18 0.0 0.0 0
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219356 85147159 1 NSO5C20H27 ABC5D20E27 -193.54 5.18 -8.59 -0.8 0
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219357 85147162 1 ClON5H20C21 ABC5D20E21 63.88 3.8 -9.08 -1.32 0
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219358 85147163 1 ClNO4C21H28 ABC4D21E28 -190.01 7.11 -9.52 -0.26 0
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219360 85147165 1 FSN2O6C17H17 ABC2D6E17F17 -266.37 5.66 -9.39 -0.89 0
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219361 85147166 1 PO5C21H31 AB5C21D31 -277.35 2.64 -8.49 0.09 0
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219362 85147167 1 SN4O5C17H22 AB4C5D17E22 -159.79 3.25 -9.13 -0.71 0
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219363 85147453 1 O3N8C19H28 A3B8C19D28 -15.81 12.49 -8.5 -1.1 0
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219364 85147454 1 SF3O3C21H23 AB3C3D21E23 -241.65 4.18 -8.35 -0.48 0
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219365 85147463 1 ClN2O7C18H21 AB2C7D18E21 -271.35 4.19 -9.59 -1.0 0
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219366 85147891 1 ClON3H26C27 ABC3D26E27 47.19 4.26 -8.94 -0.94 0
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219367 85148325 1 SN2O4C27H28 AB2C4D27E28 -83.04 3.92 -9.37 -0.64 0
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219368 85148326 1 N2O4C29H36 A2B4C29D36 -121.97 1.83 -8.55 -0.69 0
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219369 85148327 1 N2O3C30H40 A2B3C30D40 -106.1 7.61 -8.18 -0.79 0
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219370 85148328 1 SiO2C30H56 AB2C30D56 -238.15 3.84 -8.82 1.32 0
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219371 85148329 1 BrSF3O7C15H16 ABC3D7E15F16 -411.07 2.25 -9.84 -1.67 0
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219372 85148330 1 F3N3O4C24H30 A3B3C4D24E30 -285.03 4.85 -8.68 -0.97 0
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219373 85148331 1 N3O6C26H27 A3B6C26D27 -207.19 2.23 -8.47 -0.38 0
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219374 85148333 1 NPO8C22H40 ABC8D22E40 -485.76 5.0 -9.47 0.66 0
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219375 85148334 1 NSO5C27H27 ABC5D27E27 -86.63 1.38 -8.89 -0.21 3
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219376 85148335 1 RhO4S4C13H24 AB4C4D13E24 -178.82 16.5 0.0 0.0 0
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219377 85148336 1 NO5C29H35 AB5C29D35 -196.25 2.16 -9.29 -0.26 0
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219378 85148337 1 N3O4C28H35 A3B4C28D35 -58.74 5.55 -8.38 -0.39 0
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219379 85148338 1 N3O3C29H39 A3B3C29D39 -100.9 8.45 -8.78 -0.48 0
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219380 85148339 1 NO2C32H47 AB2C32D47 -90.68 1.18 -9.29 -0.45 0
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219381 85148340 1 BrNSO3H16C24 ABCD3E16F24 -17.66 4.63 -9.48 -1.5 0
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219382 85148341 1 N2S2F5O7H11C14 A2B2C5D7E11F14 -444.71 2.93 -10.6 -2.19 0
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219383 85148343 1 O3N10C22H26 A3B10C22D26 8.9 5.03 -8.32 -0.77 0
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219384 85148344 1 SN6O8C17H30 AB6C8D17E30 -385.36 6.86 -8.83 0.01 1
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219385 85148345 1 FO3N6C25H26 AB3C6D25E26 -77.78 7.18 0.0 0.0 0
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219386 85148346 1 N2O6C27H30 A2B6C27D30 -188.49 7.26 -8.65 -0.51 0
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219387 85148347 2 SN2O3C10H11 AB2C3D10E11 -76.84 11.74 -9.1 -2.13 0
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219388 85148348 1 SN4O4C25H26 AB4C4D25E26 -92.63 9.09 -8.75 -1.02 0
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219389 85148350 1 FS2O3N6C20H23 AB2C3D6E20F23 -65.84 4.24 -8.69 -1.3 0