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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411379 135084202 1 NO2C12H15 AB2C12D15 -49.22 3.85 -8.65 0.18 0
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411380 135084203 1 BrNSiC10H18 ABCD10E18 -6.5 2.36 -9.37 -0.87 0
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411381 135084204 2 NOC5H5 ABC5D5 -12.31 1.64 -9.34 -0.81 1
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411382 135084205 1 N2O2C10H11 A2B2C10D11 -0.77 6.9 0.0 0.0 0
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411383 135084206 1 BrFOC10H10 ABCD10E10 -67.22 5.07 -10.2 -0.79 0
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411384 135084207 1 INOH8C13 ABCD8E13 66.39 4.11 -9.51 -1.4 0
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411385 135084208 1 N3H13C14 A3B13C14 95.38 4.75 -9.13 -0.79 0
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411386 135084209 1 OC14H18 AB14C18 1.38 2.01 -9.14 0.59 0
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411387 135084210 1 OCl2N2C11H14 AB2C2D11E14 -44.24 3.87 -9.91 -0.8 0
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411388 135084211 1 ON2H8C10 AB2C8D10 64.85 2.87 -9.34 -0.74 1
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411389 135084212 1 ON2H9C10 AB2C9D10 66.26 2.55 0.0 0.0 0
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411390 135084213 1 NOS2C14H17 ABC2D14E17 -11.81 5.02 -8.67 0.08 0
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411391 135084214 1 ClNO2C12H14 ABC2D12E14 -74.02 5.17 -9.93 -0.9 0
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411392 135084215 1 BrO3C14H15 AB3C14D15 -109.28 8.79 -9.33 -0.94 0
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411393 135084216 1 NOC11H11 ABC11D11 12.2 3.78 -8.69 0.1 0
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411394 135084217 1 NOS3C12H15 ABC3D12E15 -7.37 2.96 -8.59 -0.62 0
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411395 135084218 1 BrFOC9H10 ABCD9E10 -71.95 2.5 -9.07 -0.71 0
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411396 135084219 1 PS2C13H15 AB2C13D15 -19.71 4.64 -8.8 -0.82 0
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411397 135084220 1 BrSiC15H29 ABC15D29 -47.55 2.09 -8.97 -0.03 0
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411398 135084221 1 ClIC12H16 ABC12D16 -4.79 3.21 -9.27 -0.8 0
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411399 135084222 1 N3O3H7C9 A3B3C7D9 36.9 3.93 -9.98 -1.87 0
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411400 135084223 1 BNO4C8H8 ABC4D8E8 -118.12 6.8 -10.35 -1.52 0
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411401 135084224 1 NOBr2C10H11 ABC2D10E11 16.69 2.79 -9.06 -0.91 0
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411402 135084225 1 NOC14H21 ABC14D21 -29.57 5.01 -8.76 0.49 0
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411403 135084226 12 CH AB 85.95 0.95 -9.26 0.44 0
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411404 135084227 1 NI2O2C12H15 AB2C2D12E15 -43.72 3.04 -9.45 -1.08 0
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411405 135084228 1 NO3C12H23 AB3C12D23 -168.1 2.59 -9.89 0.8 0
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411406 135084229 2 OC7H11 AB7C11 -95.14 0.9 -9.11 0.39 0
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411407 135084230 1 NO3C14H17 AB3C14D17 -39.53 3.3 -9.57 -0.04 0
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411408 135084231 1 O3C11H16 A3B11C16 -71.65 4.36 -9.14 0.64 0
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411409 135084232 1 O3H4N4C9 A3B4C4D9 41.53 20.21 -8.94 -3.42 1
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411410 135084233 1 O3N4H5C9 A3B4C5D9 -9.9 5.14 0.0 0.0 0
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411411 135084234 1 BrNO2C12H12 ABC2D12E12 -4.15 4.91 -9.58 -0.61 0
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411412 135084235 1 BrON2C11H11 ABC2D11E11 14.66 1.94 -9.41 -1.45 0
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411413 135084236 1 ClN2H13C14 AB2C13D14 46.84 5.0 -8.68 -0.23 0
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411414 135084237 1 OC13H24 AB13C24 -47.24 1.5 -9.64 1.27 0
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411415 135084238 1 O3C12H16 A3B12C16 -100.57 1.18 -8.87 0.35 0
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411416 135084239 1 ClN2H7C8 AB2C7D8 35.89 1.32 -9.0 -0.49 0
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411417 135084240 6 C2H3 A2B3 -8.1 1.95 -9.17 1.53 0
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411418 135084241 1 OSC15H20 ABC15D20 5.49 1.77 -8.61 0.33 0
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411419 135084242 1 OCl2N2C11H14 AB2C2D11E14 -38.55 4.1 -10.02 -0.87 0
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411420 135084243 1 SiO2C12H24 AB2C12D24 -141.4 2.04 -8.74 1.13 0
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411421 135084246 1 NO2C11H15 AB2C11D15 -40.79 3.8 -9.46 -0.33 0
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411422 135084247 1 BrN2C13H17 AB2C13D17 49.0 1.44 -9.92 -0.66 0
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411423 135084248 1 BClPC4H13 ABCD4E13 -35.24 5.49 -9.82 -0.22 0
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411424 135084249 1 O2C15H22 A2B15C22 -38.32 3.46 -9.54 0.38 0
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411425 135084250 1 O2N3C11H17 A2B3C11D17 -6.59 4.13 -9.92 -0.29 0
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411426 135084253 1 O3C13H16 A3B13C16 -102.17 1.49 -9.7 0.04 0
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411427 135084257 1 OC15H22 AB15C22 -27.77 2.31 -9.6 0.88 0
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411428 135084259 1 ClO2C11H19 AB2C11D19 -110.95 0.93 -10.45 0.26 0
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411429 135084260 1 NO2C14H17 AB2C14D17 -29.14 3.51 -9.21 0.2 0
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411430 135084261 1 O2N3C5H5 A2B3C5D5 28.49 4.13 -9.84 -1.27 1
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411431 135084262 1 O2N3C5H6 A2B3C5D6 32.28 6.46 0.0 0.0 0
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411432 135084263 1 BrON2H11C14 ABC2D11E14 41.89 6.76 -8.67 -0.6 0
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411433 135084264 1 BrOC11H11 ABC11D11 12.07 2.6 -8.68 -0.29 0
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411434 135084265 1 OC13H14 AB13C14 3.15 3.47 -8.91 -0.19 0
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411435 135084266 1 NSO2C12H17 ABC2D12E17 -69.82 4.98 -9.71 -0.23 0
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411436 135084267 1 OBr2H8C13 AB2C8D13 34.55 3.5 -9.27 -1.12 0
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411437 135084268 1 ClN2F3H6C10 AB2C3D6E10 -103.19 1.54 -9.6 -0.74 0
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411438 135084269 1 BrO3C12H13 AB3C12D13 -98.61 1.2 -9.55 -1.06 0
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411439 135084270 1 BrNSO2C8H8 ABCD2E8F8 -34.87 3.41 -9.91 -1.1 0
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411440 135084271 1 NO2C8H11 AB2C8D11 -55.76 2.77 -11.0 -1.14 0
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411441 135084272 1 BrN3H8C12 AB3C8D12 95.11 4.17 -8.82 -1.12 0
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411442 135084273 1 BrNPO4C7H15 ABCD4E7F15 -203.3 1.14 -9.84 -0.71 0
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411443 135084274 1 LiO3C9H9 AB3C9D9 -139.47 10.67 -9.3 0.04 0
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411444 135084275 1 O3N4H6C9 A3B4C6D9 69.26 6.07 -10.66 -1.5 0
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411445 135084276 4 COH2 ABC2 -180.59 1.99 -10.75 1.18 0
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411446 135084277 1 ClC13H17 AB13C17 -5.37 1.73 -9.29 0.33 0
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411447 135084278 2 ClNOC4H4 ABCD4E4 -73.45 6.55 -9.15 -0.28 1
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411448 135084279 1 BClPO2C5H12 ABCD2E5F12 -8.33 4.29 0.0 0.0 0
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411449 135084280 1 N3C14H15 A3B14C15 76.08 3.03 -8.41 -0.39 0
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411450 135084281 2 NO2C5H7 AB2C5D7 -125.26 3.34 -9.67 -1.11 1
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411451 135084282 1 N2O4C10H15 A2B4C10D15 -117.39 6.45 0.0 0.0 0
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411452 135084283 1 NOC12H13 ABC12D13 59.5 1.9 -9.44 0.1 0
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411453 135084284 1 OBr2H8C9 AB2C8D9 1.06 2.55 -8.98 -1.05 0
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411454 135084285 1 O2S2C5H8 A2B2C5D8 -41.29 1.07 -8.2 -0.1 0
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411455 135084286 2 ON2C5H6 AB2C5D6 21.61 3.71 -8.74 -1.11 0
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411456 135084287 1 NO2H11C13 AB2C11D13 -23.16 4.46 -9.47 -0.69 0
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411457 135084288 1 O3C13H18 A3B13C18 -73.52 4.52 -8.85 -0.61 0
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411458 135084289 3 OC4H6 AB4C6 -123.73 4.44 -9.91 0.43 1
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411459 135084290 1 FNO2C7H11 ABC2D7E11 -78.33 2.99 0.0 0.0 0
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411460 135084291 1 OSiC8H16 ABC8D16 -76.66 1.59 -9.6 0.76 0
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411461 135084292 1 O2N3C6H7 A2B3C6D7 19.13 4.27 -9.79 -1.22 1
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411462 135084293 1 O2N3C6H8 A2B3C6D8 27.22 6.72 0.0 0.0 0
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411463 135084294 1 OC11H20 AB11C20 -41.04 2.06 -9.7 1.1 0
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411464 135084295 1 O2C13H22 A2B13C22 -94.91 1.56 -9.57 0.72 0
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411465 135084296 1 OC12H14 AB12C14 14.54 2.08 -9.33 0.36 0
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411466 135084297 1 O2N3H9C10 A2B3C9D10 41.54 6.56 -9.55 -0.92 0
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411467 135084298 1 BrO4C13H13 AB4C13D13 -150.25 5.91 -10.36 -1.38 0
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411468 135084299 1 OC10H18 AB10C18 -66.61 0.8 -8.69 1.48 0
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411469 135084300 1 NOSiC8H17 ABCD8E17 -83.36 7.59 -8.84 0.51 0
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411470 135084301 1 NO2S2C9H13 AB2C2D9E13 -44.29 4.74 -9.37 -0.88 0
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411471 135084302 1 O3C12H14 A3B12C14 -102.5 3.65 -9.67 -0.74 0
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411472 135084303 1 OC12H18 AB12C18 -45.34 1.3 -9.2 0.39 0
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411473 135084304 1 NO3H11C12 AB3C11D12 -76.63 5.85 -9.29 -1.04 0
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411474 135084305 1 O4C7H8 A4B7C8 -135.59 0.09 -9.74 -0.16 0
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411475 135084306 1 NOC13H17 ABC13D17 -30.46 3.73 -8.76 0.11 0
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411476 135084307 1 OC15H26 AB15C26 -34.02 2.23 -9.64 1.01 0
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411477 135084308 1 NOC7H13 ABC7D13 -12.2 1.35 -9.7 0.65 0
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411478 135084309 1 ClOH13C14 ABC13D14 -9.05 3.55 -9.55 -1.02 0