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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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325230 126682167 1 OC10H20 AB10C20 -87.26 1.91 -9.49 2.55 0
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325231 126682170 1 OC8H16 AB8C16 -76.7 1.73 -9.54 2.52 0
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325232 126682178 1 O2N3C6H9 A2B3C6D9 -28.7 1.48 -9.77 -0.05 0
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325233 126682194 1 ClON5C21H22 ABC5D21E22 39.1 4.94 -9.08 -0.82 0
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325234 126682199 1 ON5C23H25 AB5C23D25 37.33 5.58 -9.0 -0.6 0
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325235 126682208 1 ClOSN5H22C23 ABCD5E22F23 54.56 2.09 -8.78 -0.91 0
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325236 126682210 1 ClON5C23H24 ABC5D23E24 42.74 5.81 -9.12 -0.82 0
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325237 126682234 1 ClFN4H14C17 ABC4D14E17 31.8 4.85 -9.32 -1.02 0
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325238 126682235 1 ClON5C21H22 ABC5D21E22 42.85 3.02 -9.22 -0.94 1
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325239 126682244 1 SN3O6C53H70 AB3C6D53E70 -208.83 6.48 0.0 0.0 1
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325240 126682245 1 ON3C40H46 AB3C40D46 61.2 2.35 0.0 0.0 0
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325241 126682248 1 ON2C25H32 AB2C25D32 -10.01 3.38 -8.85 0.28 0
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325242 126682252 1 BrSO2C21H21 ABC2D21E21 -23.44 2.45 -8.81 -0.54 0
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325243 126682253 1 O11C16H30 A11B16C30 -528.6 4.89 -10.36 0.47 0
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325244 126682258 1 SN4O9C27H46 AB4C9D27E46 -385.72 8.35 -8.81 -1.32 0
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325245 126682266 1 BrFN3H19C20 ABC3D19E20 30.95 3.25 -8.78 -0.96 0
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325246 126682270 1 FN4C20H21 AB4C20D21 43.59 2.04 -9.18 -0.94 0
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325247 126682280 1 F2N4H18C19 A2B4C18D19 22.24 4.37 -9.33 -1.1 0
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325248 126682288 1 S2F3O3N6C33H37 A2B3C3D6E33F37 -188.49 8.51 -8.96 -1.4 0
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325249 126682290 1 F3S3O4N6C25H25 A3B3C4D6E25F25 -179.58 10.62 -8.61 -1.15 0
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325250 126682291 1 NH35C36 AB35C36 156.22 0.89 -8.03 0.06 0
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325251 126682294 1 PN5O8C28H34 AB5C8D28E34 -303.81 9.24 -8.67 -0.44 0
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325252 126682296 1 O2N5C21H23 A2B5C21D23 37.79 4.89 -8.94 -0.64 0
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325253 126682304 1 SF2N2O2C13H14 AB2C2D2E13F14 -78.27 4.73 -9.51 -1.43 0
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325254 126682306 1 BrOSF2N2C12H13 ABCD2E2F12G13 -107.96 3.24 -9.58 -0.93 0
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325255 126682313 1 F2N2O4C31H36 A2B2C4D31E36 -199.08 3.06 -8.49 0.0 0
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325256 126682322 1 F2N2O4C31H36 A2B2C4D31E36 -199.57 3.99 -8.54 -0.1 0
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325257 126682323 1 ON3F4C12H13 AB3C4D12E13 -171.66 6.26 -10.1 -0.77 0
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325258 126682326 1 SN2O2F4C20H20 AB2C2D4E20F20 -245.5 5.48 -8.85 -0.92 0
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325259 126682327 2 NF2O2C7H7 AB2C2D7E7 -259.91 4.63 -10.19 -1.69 0
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325260 126682328 1 NF3O3C18H24 AB3C3D18E24 -290.79 2.06 -9.77 -0.19 0
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325261 126682340 1 O2F3C13H13 A2B3C13D13 -209.65 4.12 -9.93 -0.32 0
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325262 126682353 1 N2F3O3C15H15 A2B3C3D15E15 -139.34 5.26 -10.49 -1.55 0
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325263 126682359 2 OF2C7H7 AB2C7D7 -275.4 4.3 -10.19 -0.61 0
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325264 126682368 1 NOF3C14H14 ABC3D14E14 -138.33 1.57 -9.86 -0.33 0
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325265 126682379 1 NO2F3H12C13 AB2C3D12E13 -188.97 5.5 -10.19 -0.66 0
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325266 126682396 1 BrO7C13H19 AB7C13D19 -330.2 3.34 -10.58 -0.56 0
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325267 126682403 3 N3C11H21 A3B11C21 -46.71 2.46 -8.59 0.7 0
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325268 126682408 1 NOC11H23 ABC11D23 -84.22 2.54 -9.58 0.77 0
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325269 126682418 1 N3O5C26H31 A3B5C26D31 -179.37 1.53 -8.15 -1.55 0
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325270 126682422 1 N3O3C25H29 A3B3C25D29 -53.21 5.91 -7.51 -1.21 0
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325271 126682423 2 NOC11H12 ABC11D12 -15.57 4.47 -8.34 -1.38 0
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325272 126682424 1 N3O3C25H31 A3B3C25D31 -74.98 4.81 -8.32 -1.4 0
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325273 126682426 2 NOC5H10 ABC5D10 -109.76 2.41 -8.8 0.95 0
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325274 126682430 1 N12O17C70H108 A12B17C70D108 -781.22 9.96 -8.85 -2.02 0
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325275 126682444 1 OF5N5C17H18 AB5C5D17E18 -227.62 1.71 -9.84 -0.76 0
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325276 126682447 1 NO9C43H53 AB9C43D53 -319.55 5.93 -9.41 -1.16 0
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325277 126682454 1 N2O14C23H34 A2B14C23D34 -581.08 4.32 -9.08 -1.38 0
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325278 126682465 1 O2N6C23H26 A2B6C23D26 -13.8 7.93 -8.48 -1.02 0
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325279 126682466 1 FN3O3C24H26 AB3C3D24E26 -133.27 8.66 -8.45 -0.98 0
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325280 126682468 1 O3N5C22H27 A3B5C22D27 -79.47 6.86 -8.46 -0.77 0
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325281 126682469 1 O2N7C26H29 A2B7C26D29 -2.77 9.27 -8.45 -1.05 0
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325282 126682479 1 FN3O4C26H30 AB3C4D26E30 -184.99 10.66 -8.6 -0.67 0
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325283 126682481 1 FO3N5C21H24 AB3C5D21E24 -102.52 12.56 -8.74 -0.43 0
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325284 126682482 1 FN4O4C20H21 AB4C4D20E21 -119.8 7.81 -8.82 -1.18 0
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325285 126682486 1 FO3N5C21H24 AB3C5D21E24 -115.89 10.89 -8.67 -1.03 0
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325286 126682487 1 FN4O4C24H27 AB4C4D24E27 -155.45 11.24 -8.97 -1.0 0
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325287 126682494 1 O4N5C20H23 A4B5C20D23 -73.51 7.46 -8.99 -1.04 0
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325288 126682498 1 O2N8C25H28 A2B8C25D28 6.6 9.89 -8.75 -1.07 0
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325289 126682499 1 FO3N4C23H25 AB3C4D23E25 -126.05 5.98 -8.77 -1.05 0
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325290 126682501 2 O2N3C11H13 A2B3C11D13 -89.17 7.56 -8.73 -1.33 0
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325291 126682504 1 O3N6C21H26 A3B6C21D26 -59.11 13.04 -8.73 -0.4 0
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325292 126682505 1 O3N6C21H26 A3B6C21D26 -71.85 9.7 -8.75 -0.8 0
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325293 126682511 2 O2N3C11H13 A2B3C11D13 -56.33 10.28 -9.13 -1.34 0
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325294 126682512 2 O2N3C11H13 A2B3C11D13 -57.3 10.27 -8.87 -1.45 0
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325295 126682513 1 N4O4C25H30 A4B4C25D30 -112.48 9.13 -8.66 -0.69 0
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325296 126682514 1 O3N5C23H25 A3B5C23D25 -38.99 11.83 -8.86 -0.47 0
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325297 126682516 1 O3N6C21H26 A3B6C21D26 -71.35 9.93 -8.69 -0.72 0
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325298 126682536 1 SO3N4C35H46 AB3C4D35E46 -87.44 6.94 -8.37 -0.7 0
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325299 126682537 1 SO3N4C36H50 AB3C4D36E50 -93.18 7.73 -8.37 -0.58 0
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325302 126682561 1 OC20H36 AB20C36 -53.94 2.8 -9.8 1.11 0
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325303 126682562 1 OC20H36 AB20C36 -54.55 1.84 -9.65 1.22 0
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325304 126682569 1 O2C19H34 A2B19C34 -78.24 1.43 -10.03 0.78 0
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325305 126682580 2 NC5H10 AB5C10 -19.28 1.19 -8.37 2.88 0
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325306 126682606 1 N5H37C51 A5B37C51 220.29 1.07 -8.04 -1.26 0