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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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435338 135191245 1 N2C16H29 A2B16C29 23.44 2.12 0.0 0.0 0
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435339 135191250 1 N7H15C16 A7B15C16 125.26 5.56 -8.62 -1.18 0
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435340 135191251 1 ON8C22H28 AB8C22D28 58.12 4.29 -8.57 -0.65 0
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435341 135191252 1 O2N7C17H19 A2B7C17D19 44.33 7.7 -9.34 -1.05 0
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435342 135191253 1 O3N8H14C16 A3B8C14D16 15.09 7.71 -9.07 -1.17 0
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435343 135191254 1 O2N7C15H15 A2B7C15D15 87.87 8.46 -8.34 -1.73 0
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435344 135191255 1 PO3N7C20H24 AB3C7D20E24 -41.9 2.92 -9.0 -1.03 0
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435345 135191256 1 NO2C27H33 AB2C27D33 -40.32 4.3 -7.68 0.18 0
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435346 135191257 1 N3C7H13 A3B7C13 50.68 3.45 -8.9 0.8 0
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435347 135191258 1 N3C8H15 A3B8C15 45.56 3.52 -8.87 0.82 0
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435348 135191259 1 NF3C15H18 AB3C15D18 -151.57 2.79 -8.77 -0.5 0
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435349 135191262 1 ON9C17H17 AB9C17D17 109.35 4.2 -8.61 -0.68 0
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435350 135191267 1 ON7C16H17 AB7C16D17 52.53 6.22 -8.28 -0.58 0
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435351 135191268 1 ON7C19H21 AB7C19D21 97.1 2.6 -8.81 -0.95 1
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435352 135191269 1 ON2C16H29 AB2C16D29 -13.0 4.01 0.0 0.0 0
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435353 135191271 1 OSF3N4C21H23 ABC3D4E21F23 -122.97 4.63 -8.69 -0.53 0
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435354 135191275 1 OF3N4H21C22 AB3C4D21E22 -94.48 1.8 -9.65 -1.21 0
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435355 135191277 1 ON8C15H16 AB8C15D16 91.86 6.36 -9.12 -1.18 0
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435356 135191278 1 SO5C21H40 AB5C21D40 -287.37 3.71 -9.28 -0.82 0
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435357 135191280 1 ON7C19H21 AB7C19D21 103.84 4.67 -8.98 -0.18 0
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435358 135191281 1 OSF3N4C22H25 ABC3D4E22F25 -141.52 5.25 -8.44 -0.54 0
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435359 135191282 1 ON4C9H16 AB4C9D16 -20.97 3.49 -8.41 0.66 0
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435360 135191283 1 ClOF3N4H20C21 ABC3D4E20F21 -136.68 2.48 -9.59 -1.0 0
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435361 135191284 1 O2F3N4C20H23 A2B3C4D20E23 -184.01 4.29 -9.54 -0.5 0
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435362 135191285 1 F3O3N4H17C20 A3B3C4D17E20 -94.9 4.79 -8.94 -1.64 0
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435363 135191286 1 F3O3N4H19C20 A3B3C4D19E20 -224.34 3.3 -9.71 -1.53 0
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435364 135191289 1 O3N7C17H17 A3B7C17D17 6.71 6.01 -9.46 -1.12 0
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435365 135191291 4 NC3H4 AB3C4 44.62 4.35 -8.83 -0.68 0
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435366 135191293 1 SN2O3C10H12 AB2C3D10E12 -86.98 1.39 -8.99 -0.85 0
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435367 135191298 1 ON7C15H15 AB7C15D15 81.96 4.16 -8.54 -0.66 0
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435368 135191301 1 ON7H15C16 AB7C15D16 64.04 5.97 -8.93 -1.0 0
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435369 135191305 2 NOF2C11H11 ABC2D11E11 -251.03 8.82 -8.92 -0.75 0
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435370 135191306 1 BrCl2N5H12C14 AB2C5D12E14 57.73 2.51 -9.18 -1.0 0
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435371 135191307 1 O2N7C16H17 A2B7C16D17 37.9 2.46 -8.83 -0.84 0
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435372 135191308 1 O2F3N4C23H27 A2B3C4D23E27 -200.37 5.81 -9.18 -0.51 0
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435373 135191314 1 SN2O5H18C22 AB2C5D18E22 -108.45 5.06 -9.02 -0.92 0
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435374 135191315 1 ON8C16H18 AB8C16D18 75.3 3.13 -8.23 -0.73 0
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435375 135191317 1 SN2O5H20C23 AB2C5D20E23 -110.54 3.91 -8.69 -0.83 0
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435376 135191318 1 O2F3N5C23H24 A2B3C5D23E24 -154.01 9.8 -9.16 -0.83 0
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435377 135191327 1 INO5C19H24 ABC5D19E24 -172.95 8.64 -9.01 -0.92 0
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435378 135191328 1 FNO5H20C21 ABC5D20E21 -213.7 11.38 -9.54 -1.21 0
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435379 135191329 1 F3N3O3C22H24 A3B3C3D22E24 -259.14 2.51 -9.64 -1.06 0
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435380 135191339 1 ON3C14H27 AB3C14D27 -51.52 2.16 -8.05 1.0 0
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435381 135191340 1 ON3C13H25 AB3C13D25 -49.54 1.83 -8.71 0.98 0
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435382 135191341 1 O2N3F4C19H19 A2B3C4D19E19 -228.09 6.41 -9.29 -1.37 0
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435383 135191342 1 OSF3N4C22H25 ABC3D4E22F25 -145.17 6.83 -8.49 -0.57 0
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435384 135191343 1 O2F3N3C20H22 A2B3C3D20E22 -196.57 5.4 -9.01 -1.08 0
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435385 135191344 1 ON2C7H12 AB2C7D12 0.69 1.96 -8.36 0.64 0
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435386 135191345 2 OC7H13 AB7C13 -119.96 1.88 -10.45 -0.19 0
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435387 135191346 1 OF3N4C23H27 AB3C4D23E27 -137.22 5.55 -9.12 -0.33 0