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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27373 820986 1 BrON2H9C14 ABC2D9E14 51.41 6.03 -9.1 -1.13 0
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27374 820987 1 N2O5C15H16 A2B5C15D16 -168.37 4.58 -9.86 -1.43 0
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27375 821009 1 OSN2H18C20 ABC2D18E20 39.27 3.86 -9.07 -0.66 0
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27376 821018 1 NO4C11H13 AB4C11D13 -77.78 1.56 -9.55 -1.07 1
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27377 821020 1 ClON2H12C15 ABC2D12E15 43.42 2.75 0.0 0.0 0
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27378 821023 1 NOSC12H17 ABCD12E17 -38.41 4.11 -9.19 -0.16 0
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27379 821024 1 N2F3H5C6 A2B3C5D6 -128.85 5.0 -9.39 -0.76 0
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27380 821029 1 ON2H8C9 AB2C8D9 19.51 5.6 -9.2 -0.92 0
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27381 821030 1 FSN2O3H13C14 ABC2D3E13F14 -129.29 6.56 -9.01 -0.88 0
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27382 821031 1 O2N3H13C17 A2B3C13D17 -4.26 2.4 -8.52 -0.72 0
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27383 821032 1 NSCl2O2H13C15 ABC2D2E13F15 -51.46 8.11 -8.79 -0.86 0
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27384 821034 1 NOSH17C20 ABCD17E20 32.53 3.67 -8.91 -0.58 0
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27385 821035 1 NOSH17C20 ABCD17E20 32.56 2.35 -8.84 -0.64 0
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27386 821038 1 ON2C9H10 AB2C9D10 -1.79 5.46 -9.0 -0.56 0
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27387 821039 2 NO2H7C8 AB2C7D8 -13.23 3.72 -10.09 -1.55 0
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27388 821054 1 NSO3C17H19 ABC3D17E19 -77.54 7.52 -8.66 -0.4 0
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27389 821056 1 NSO2C18H21 ABC2D18E21 -38.82 3.13 -8.6 -0.31 0
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27390 821082 1 ClN2O4H13C15 AB2C4D13E15 -49.77 6.52 -9.47 -1.62 0
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27391 821084 1 N3H13C14 A3B13C14 68.38 3.1 -8.03 -0.48 0
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27392 821086 1 INOC12H16 ABCD12E16 -34.98 5.02 -8.84 -0.7 0
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27393 821097 1 NO3C10H11 AB3C10D11 -107.9 5.91 -8.65 -0.36 0
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27394 821098 1 NO3C10H11 AB3C10D11 -108.14 5.38 -8.69 -0.32 0
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27395 821099 1 ON2H12C14 AB2C12D14 25.94 3.75 -8.4 -0.6 0
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27396 821101 1 O2C11H14 A2B11C14 -78.24 5.85 -8.88 -0.26 0
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27397 821102 1 BrNOC16H16 ABCD16E16 -7.16 5.35 -9.07 -0.26 0
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27398 821103 2 O3C5H5 A3B5C5 -219.47 5.65 -9.68 -1.61 0
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27399 821104 1 BrNO2C16H16 ABC2D16E16 -41.59 4.47 -9.05 -0.35 0
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27400 821114 1 N2O4C17H18 A2B4C17D18 -48.27 6.24 -9.21 -1.17 0
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27401 821125 1 ON2C16H16 AB2C16D16 20.73 2.28 -8.48 -0.31 0
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27402 821129 1 O2N3H11C12 A2B3C11D12 79.85 1.97 -8.99 -1.99 0
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27403 821147 1 NO3C10H11 AB3C10D11 -100.69 5.66 -9.85 -0.54 0
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27404 821173 1 NO3C11H13 AB3C11D13 -116.83 6.18 -9.81 -0.4 0
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27405 821174 1 NO3C11H13 AB3C11D13 -111.55 7.93 -10.06 -0.56 0
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27406 821175 1 ON4H6C9 AB4C6D9 72.94 4.86 -10.89 -2.38 0
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27407 821185 1 ON2C14H22 AB2C14D22 -58.01 3.59 -9.69 -0.29 0
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27408 821186 1 N4H8C13 A4B8C13 139.99 6.82 -10.03 -2.11 0
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27409 821187 1 SN3O3H13C15 AB3C3D13E15 -7.41 4.55 -9.58 -1.4 0
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27410 821199 1 OSN3H15C16 ABC3D15E16 89.25 6.96 -8.76 -0.8 0
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27411 821206 1 SO3N4H10C11 AB3C4D10E11 28.17 2.53 -9.04 -1.93 0
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27412 821214 1 ClN2O2C19H19 AB2C2D19E19 -58.83 3.92 -8.53 -0.6 0
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27413 821217 2 NOC10H11 ABC10D11 -59.29 4.29 -8.44 -0.04 0
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27414 821223 1 O2N3C7H9 A2B3C7D9 -50.59 2.89 -9.4 -0.58 0
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27415 821226 1 ClON2C15H17 ABC2D15E17 -11.32 4.22 -8.71 -0.74 0
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27416 821231 1 O4C11H12 A4B11C12 -156.78 5.69 -9.82 -0.12 0
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27417 821253 1 ClOSN2C10H11 ABCD2E10F11 -32.92 3.16 -9.04 -1.05 0
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27418 821254 1 SO2N3H11C12 AB2C3D11E12 -39.26 7.21 -9.18 -1.08 0
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27419 821256 1 N2O3C12H12 A2B3C12D12 -94.42 6.92 -9.27 -0.66 0
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27420 821257 1 ON3C12H13 AB3C12D13 2.86 7.55 -9.18 -0.48 0
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27421 821266 1 N2O3C19H24 A2B3C19D24 -88.62 5.21 -9.56 -0.56 0
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27422 821267 1 OSN3C15H19 ABC3D15E19 9.64 8.4 -8.71 -0.71 0
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27423 821272 1 O3C20H28 A3B20C28 -150.31 5.8 -9.89 -0.63 0
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27424 821304 1 NSO2C15H15 ABC2D15E15 -48.87 4.77 -8.65 -0.78 0
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27425 821305 2 OC7H11 AB7C11 -92.87 4.0 -9.57 0.55 0
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27426 821306 2 OC7H11 AB7C11 -92.87 4.01 -9.57 0.55 0
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27427 821307 1 N2O2C17H18 A2B2C17D18 -53.19 3.47 -8.51 -0.26 0
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27428 821309 1 O2C15H26 A2B15C26 -116.23 2.4 -9.67 2.51 0
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27429 821310 1 O2C15H24 A2B15C24 -109.31 3.91 -9.76 0.87 0
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27430 821311 1 N2O2C17H18 A2B2C17D18 -54.7 0.82 -8.25 -0.45 0
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27431 821313 1 O2C15H24 A2B15C24 -103.08 4.65 -9.78 0.61 0
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27432 821314 1 ON2C10H14 AB2C10D14 -41.99 3.13 -8.16 0.3 0
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27433 821316 2 OC7H11 AB7C11 -104.21 4.23 -10.01 0.63 0
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27434 821317 2 ClN2H5C7 AB2C5D7 105.48 5.08 -9.85 -1.36 0
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27435 821319 1 O2C15H24 A2B15C24 -99.06 3.13 -9.73 0.64 0
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27436 821322 1 O2C15H24 A2B15C24 -100.73 3.32 -9.64 0.73 0
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27437 821325 1 O2C15H26 A2B15C26 -112.77 1.98 -9.66 2.48 0
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27438 821327 2 N2C9H10 A2B9C10 97.95 8.65 -9.49 -0.89 0
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27439 821330 2 OC7H11 AB7C11 -108.48 2.78 -9.93 0.62 0
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27440 821345 1 NO4C20H21 AB4C20D21 -95.94 3.09 -8.1 -0.33 0
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27441 821347 1 NO2C19H19 AB2C19D19 -22.94 1.63 -7.82 -0.29 0
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27442 821350 1 ON5C17H21 AB5C17D21 38.67 5.24 -8.88 -0.86 0
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27443 821362 1 O4C11H12 A4B11C12 -176.47 2.78 -9.4 -0.53 0
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27444 821363 1 O3C15H26 A3B15C26 -180.69 3.16 -9.97 0.72 1
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27445 821364 1 NO3C20H26 AB3C20D26 -69.28 5.16 0.0 0.0 1
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27446 821365 1 NO3C20H26 AB3C20D26 -53.5 1.11 0.0 0.0 0
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27447 821370 1 N2O2C19H22 A2B2C19D22 -38.18 6.13 -9.03 -0.18 1