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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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32227 6435995 2 N4C8H15 A4B8C15 84.52 0.02 -9.29 0.36 0
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32228 6436010 1 NO3C32H45 AB3C32D45 -96.45 4.05 -8.92 -0.4 0
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32229 6436029 2 OC9H16 AB9C16 -125.69 1.71 -9.33 0.82 0
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32230 6436032 1 N2O2C27H40 A2B2C27D40 -52.25 3.38 -8.44 -0.19 2
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32231 6436035 2 ON2C22H25 AB2C22D25 271.44 13.49 -4.95 -0.79 0
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32232 6436038 1 O35C57H94 A35B57C94 -1574.44 8.14 -10.23 -0.36 0
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32233 6436046 1 O6C21H34 A6B21C34 -287.3 6.62 -9.43 0.23 0
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32234 6436049 1 SO2C17H18 AB2C17D18 -48.85 7.01 -9.26 -0.65 0
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32235 6436053 1 ClSN2O4C25H25 ABC2D4E25F25 -104.83 2.01 -9.12 -1.02 0
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32236 6436055 1 S2N5O6C17H19 A2B5C6D17E19 -178.97 4.29 -9.04 -0.89 0
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32237 6436056 1 O5C23H40 A5B23C40 -274.27 2.2 -9.97 0.35 0
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32238 6436070 1 O3C38H54 A3B38C54 -143.92 2.45 -8.76 0.26 0
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32239 6436072 1 S3N4O11H16C24 A3B4C11D16E24 -206.48 3.04 -9.64 -2.03 0
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32240 6436099 1 N2O9C29H36 A2B9C29D36 -288.27 6.53 -8.85 -0.53 0
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32241 6436115 1 N5O6C13H15 A5B6C13D15 -79.3 5.61 -9.3 -1.37 0
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32242 6436116 1 C23H28 A23B28 10.39 1.48 -8.81 0.26 0
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32243 6436129 1 ClN2O4C22H25 AB2C4D22E25 -111.56 6.25 -8.52 -1.61 0
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32244 6436135 1 SN2O3C23H28 AB2C3D23E28 -87.54 4.15 -8.8 -0.8 0
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32245 6436136 1 FNC18H38 ABC18D38 -123.52 2.08 -9.23 1.46 0
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32246 6436148 1 NO7C31H37 AB7C31D37 -255.8 4.83 -9.8 -1.11 0
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32247 6436156 2 NO3C10H14 AB3C10D14 -208.4 1.28 -8.69 -0.26 0
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32248 6436157 1 O5C41H56 A5B41C56 -231.26 4.55 -8.81 -0.14 0
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32249 6436158 1 NO15C41H67 AB15C41D67 -705.45 9.8 -8.92 0.11 0
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32250 6436159 1 O5C12H14 A5B12C14 -169.08 4.83 -8.91 -0.92 0
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32251 6436160 1 O14C47H70 A14B47C70 -617.52 3.87 -9.38 0.37 0
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32252 6436163 1 O14C47H72 A14B47C72 -628.34 6.53 -9.38 0.11 0
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32253 6436165 2 NO3C14H19 AB3C14D19 -253.92 4.87 -8.65 -0.37 0
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32254 6436194 4 NO3C11H14 AB3C11D14 -413.09 11.45 -9.06 -1.58 0
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32255 6436196 1 N4O13C51H64 A4B13C51D64 -207.33 22.88 -8.5 -2.7 0
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32256 6436204 1 NO16C42H53 AB16C42D53 -666.44 4.25 -8.62 -1.25 0
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32257 6436218 1 O17C40H52 A17B40C52 -718.6 2.79 -9.64 -0.82 0
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32258 6436223 1 O9C35H58 A9B35C58 -433.56 8.64 -9.08 -0.1 0
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32259 6436227 1 O17C34H46 A17B34C46 -704.91 8.22 -10.25 -0.7 0
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32260 6436229 6 O3C6H8 A3B6C8 -759.84 8.09 -10.07 -0.84 0
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32261 6436231 4 OC2H2 AB2C2 -121.8 5.45 -9.93 -1.41 0
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32262 6436239 1 O2C17H24 A2B17C24 7.94 2.64 -10.11 -0.11 0
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32263 6436240 2 NC9H10 AB9C10 162.88 6.6 -5.82 -0.99 0
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32264 6436241 1 N2O4C21H22 A2B4C21D22 -65.93 2.73 -8.76 -0.8 0
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32265 6436242 1 N7O27C75H117 A7B27C75D117 -1228.68 10.88 -8.35 -0.6 0
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32266 6436244 1 NaSO3N4H7C10 ABC3D4E7F10 -48.93 12.42 -8.66 -1.26 0
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32267 6436249 1 N11O12C63H113 A11B12C63D113 -647.39 8.13 -9.34 0.14 0
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32268 6436258 1 N3O10C38H55 A3B10C38D55 -362.51 2.07 -9.22 -0.09 0
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32269 6436260 1 O16C59H92 A16B59C92 -712.06 14.37 -8.7 -2.02 0
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32270 6436261 1 O9C41H64 A9B41C64 -409.55 8.46 -8.54 -0.6 0
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32271 6436263 2 NO4C15H21 AB4C15D21 -289.21 3.62 -9.35 -1.82 0
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32272 6436266 1 ON2C20H24 AB2C20D24 75.16 3.55 -8.44 -0.14 0
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32273 6436280 1 O3C14H22 A3B14C22 -141.05 5.36 -9.68 -0.84 0
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32274 6436282 1 N2O3C20H22 A2B3C20D22 33.93 3.11 -8.37 -0.49 0
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32275 6436285 1 PO9C19H27 AB9C19D27 -409.32 9.55 -9.22 -0.97 0
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32276 6436286 1 NO8C28H37 AB8C28D37 -315.94 6.88 -9.35 -0.04 0
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32277 6436293 1 O7C32H46 A7B32C46 -296.01 12.47 -9.37 -0.52 0
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32278 6436301 1 ClPH24C27 ABC24D27 119.18 29.11 -6.24 -1.7 0
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32279 6436302 1 O3C9H16 A3B9C16 -154.54 3.23 -9.71 0.27 0
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32280 6436305 1 BrC7H11 AB7C11 16.37 1.95 -10.03 -0.1 0
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32281 6436306 4 OC3H4 AB3C4 -125.15 4.2 -8.68 -0.06 0
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32282 6436308 4 OC5H9 AB5C9 -228.66 3.53 -10.77 -1.15 1
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32283 6436316 1 N2S2H25C29 A2B2C25D29 120.74 5.31 0.0 0.0 0
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32284 6436321 2 NO2C3H5 AB2C3D5 -141.2 3.25 -9.6 -0.34 0
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32285 6436322 10 CH2 AB2 -35.07 0.63 -9.14 1.59 0
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32286 6436333 2 SiO5C8H16 AB5C8D16 -598.0 4.75 -9.56 -0.52 0
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32287 6436339 1 O2C15H26 A2B15C26 -126.45 1.78 -9.5 0.89 0
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32288 6436340 1 BrC6H11 AB6C11 -8.66 2.11 -9.96 -0.04 0
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32289 6436348 1 OC15H22 AB15C22 -41.77 2.81 -8.98 0.7 0
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32291 6436364 1 O5C24H46 A5B24C46 -285.84 2.47 -9.54 0.63 1
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32292 6436371 1 NC21H44 AB21C44 -37.58 0.25 0.0 0.0 0
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32293 6436372 1 O2C25H48 A2B25C48 -179.38 1.73 -9.46 0.92 0
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32294 6436376 1 ClC5H9 AB5C9 -15.78 2.6 -9.9 0.81 0
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32295 6436390 2 OC11H20 AB11C20 -141.1 1.76 -9.45 0.02 0
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32296 6436397 1 NCl2O4C36H53 AB2C4D36E53 -193.3 4.56 -8.47 0.11 0
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32297 6436400 1 N2O16C49H78 A2B16C49D78 -782.0 5.05 -8.73 -0.52 0
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32298 6436405 1 SN2O7C17H22 AB2C7D17E22 -257.81 4.37 -8.62 -0.78 0
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32299 6436407 1 N11O12C61H109 A11B12C61D109 -654.72 3.47 -9.36 -0.03 0
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32300 6436408 1 P3S3N6O17C27H43 A3B3C6D17E27F43 -933.42 14.76 -8.14 -1.22 0
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32301 6436414 1 PO4C36H71 AB4C36D71 -362.31 3.37 -9.46 0.67 0
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32302 6436415 1 NO4C7H7 AB4C7D7 -123.73 5.1 -11.36 -1.86 0
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32303 6436418 1 ClSO3N5C16H16 ABC3D5E16F16 78.3 7.4 -8.42 -1.78 1
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32304 6436419 1 SO3N5C16H16 AB3C5D16E16 65.53 9.32 0.0 0.0 0
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32305 6436446 1 O7C11H18 A7B11C18 -301.66 2.57 -10.4 -0.84 0
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32306 6436447 1 OC15H22 AB15C22 -6.67 2.2 -9.36 1.05 0
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32307 6436448 1 OC14H20 AB14C20 -4.47 1.57 -9.5 1.14 0
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32308 6436449 1 ClON3C17H20 ABC3D17E20 12.08 6.56 -9.34 -0.1 0
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32309 6436454 1 ClO2N3C15H18 AB2C3D15E18 24.26 9.83 -9.1 -1.42 0
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32311 6436472 1 NOC12H21 ABC12D21 -44.57 1.83 -8.32 1.37 0
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32312 6436474 2 OC18H34 AB18C34 -209.12 2.26 -9.42 0.98 0
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32314 6436488 1 OC8H14 AB8C14 -39.61 2.77 -9.2 0.17 0
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32315 6436491 1 OC12H22 AB12C22 -56.45 2.46 -9.45 0.46 0
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32316 6436492 1 NO4C20H41 AB4C20D41 -241.1 5.7 -9.7 0.59 0
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32317 6436497 1 SnO8C34H62 AB8C34D62 -392.19 4.3 -8.02 -1.22 0
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32318 6436505 1 O3C11H12 A3B11C12 -105.72 4.59 -9.24 -0.64 0
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32319 6436511 1 NO2Br3H10C11 AB2C3D10E11 -65.09 1.42 -8.82 -0.77 0
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32320 6436518 1 O4C17H28 A4B17C28 -202.56 2.96 -9.2 0.49 0
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32321 6436519 1 OSiC7H16 ABC7D16 -101.68 0.35 -9.26 1.04 0
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32322 6436525 1 N3C22H43 A3B22C43 -36.86 3.35 -8.79 1.17 0
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32323 6436528 1 O3C22H38 A3B22C38 -177.12 5.78 -9.9 -0.83 0
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32324 6436530 2 NC10H19 AB10C19 -38.32 2.23 -9.12 1.21 0
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32325 6436532 1 NO8C28H47 AB8C28D47 -386.87 3.56 -8.79 0.21 0
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32326 6436533 1 SN2O5C24H28 AB2C5D24E28 -138.56 7.5 -7.79 -1.7 0
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32327 6436535 2 NSO3C12H14 ABC3D12E14 -186.76 6.52 -8.65 -1.13 0
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32328 6436536 1 O6C19H26 A6B19C26 -248.31 5.33 -9.73 -0.39 0
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32329 6436537 1 OC14H24 AB14C24 -64.76 3.76 -9.21 0.02 0