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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4363 11288 3 H2O2C3 A2B2C3 -221.56 4.49 -11.3 -1.87 0
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4364 11290 1 NO6C23H25 AB6C23D25 -193.83 5.73 -8.87 -0.31 0
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4365 11291 1 NC19H19 AB19C19 59.63 0.92 -8.66 -0.03 0
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4366 11292 1 ClN3H18C19 AB3C18D19 65.32 11.93 -8.67 -1.22 0
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4367 11294 1 ClN2C23H25 AB2C23D25 91.74 8.45 -7.94 -1.38 0
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4368 11295 1 N2C23H25 A2B23C25 85.56 3.31 0.0 0.0 1
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4369 11296 1 O5H8C11 A5B8C11 -107.08 3.44 -8.46 -1.93 0
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4370 11299 1 O3C22H36 A3B22C36 -191.97 3.97 -9.65 0.48 0
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4371 11300 1 C27H46 A27B46 -85.18 0.43 -9.04 1.61 0
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4372 11304 12 CH AB 22.9 0.08 -8.45 -0.19 0
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4373 11305 2 OH4C5 AB4C5 -46.17 1.01 -8.32 -0.53 0
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4374 11308 1 O5C10H12 A5B10C12 -174.95 8.0 -9.3 -0.65 0
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4375 11310 1 O4H14C15 A4B14C15 -141.31 2.65 -8.59 -0.6 0
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4376 11311 1 O3N5C9H15 A3B5C9D15 -96.41 3.1 -9.5 -0.94 0
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4377 11312 1 N2H4O5C6 A2B4C5D6 -29.08 4.52 -10.73 -2.26 0
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4378 11318 2 OH4C5 AB4C5 -44.98 1.99 -8.37 -0.54 0
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4379 11320 1 ON2C19H22 AB2C19D22 13.18 4.67 -9.29 -0.7 0
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4380 11326 12 CH AB 21.67 1.14 -8.51 -0.21 0
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4381 11327 12 CH AB 21.2 1.04 -8.53 -0.2 0
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4382 11328 12 CH AB 21.0 1.01 -8.55 -0.2 0
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4383 11329 1 ClS2N4O6C26H37 AB2C4D6E26F37 -234.62 8.76 -8.61 -0.54 0
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4384 11330 1 N2S2O4C13H18 A2B2C4D13E18 -143.06 5.63 -9.38 -0.55 0
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4385 11331 1 Cl3O3H5C8 A3B3C5D8 -121.36 4.33 -10.03 -1.34 0
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4386 11332 1 Cl2O3H6C8 A2B3C6D8 -111.22 6.47 -10.15 -1.09 0
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4387 11333 1 O11C12H22 A11B12C22 -503.76 1.28 -10.56 0.32 0
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4388 11334 1 OCl2H4C6 AB2C4D6 -34.81 3.56 -9.35 -0.57 0
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4389 11335 1 OC8H10 AB8C10 -37.68 1.34 -8.72 0.34 0
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4390 11337 2 ClNO2C5H11 ABC2D5E11 -223.07 2.03 -9.53 0.51 0
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4391 11339 1 SO7C20H38 AB7C20D38 -367.35 2.17 -10.71 -0.48 0
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4392 11341 1 BrNO2H4C6 ABC2D4E6 21.39 5.23 -10.32 -1.11 0
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4393 11343 1 SN2O2H8C10 AB2C2D8E10 -16.8 6.09 -10.06 -1.15 0
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4394 11344 1 N4O9C17H18 A4B9C17D18 -112.37 3.8 -8.87 -2.75 0
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4395 11345 6 C2H3 A2B3 -12.63 0.78 -9.07 0.6 0
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4396 11346 1 NO3H7C8 AB3C7D8 -19.02 6.09 -10.63 -1.6 0
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4397 11347 1 O3N4C10H14 A3B4C10D14 -94.55 5.2 -8.84 -0.32 0
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4398 11349 1 O3H10C15 A3B10C15 -46.65 3.11 -8.91 -1.16 0
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4399 11350 1 I2O3H12C15 A2B3C12D15 -55.98 4.84 -9.31 -1.44 0
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4400 11352 1 N2H10C13 A2B10C13 68.97 3.87 -8.34 -1.13 0
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4401 11354 1 N3F4H11C14 A3B4C11D14 -85.62 4.9 -8.54 -1.38 0
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4402 11355 1 KO3H5C7 AB3C5D7 -154.56 9.19 -8.24 0.14 0
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4403 11356 1 N2O2C7H8 A2B2C7D8 -1.21 6.43 -9.19 -0.91 0
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4404 11357 1 NC8H11 AB8C11 9.19 1.91 -8.34 0.49 0
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4405 11359 1 N2H8C9 A2B8C9 47.73 1.07 -8.25 -0.51 0
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4406 11361 1 ON5C6H7 AB5C6D7 19.56 3.16 -9.24 -0.43 0
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4407 11363 1 O2H8C9 A2B8C9 -42.98 3.43 -9.8 -0.98 0
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4408 11364 1 NOC9H11 ABC9D11 -23.6 4.29 -8.77 0.22 0
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4409 11365 1 ClNOC8H8 ABCD8E8 -4.55 2.35 -9.02 -1.15 0
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4410 11368 1 ClNO3C18H24 ABC3D18E24 -132.47 4.65 -8.69 0.14 0
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4411 11369 1 NC10H15 AB10C15 -2.86 1.98 -8.22 0.57 0
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4412 11370 1 O3C8H8 A3B8C8 -101.4 7.17 -9.72 -0.77 0
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4413 11371 1 NO4H11C14 AB4C11D14 -123.41 6.35 -9.23 -1.16 0
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4414 11373 1 N2H8C9 A2B8C9 47.95 3.18 -8.48 -0.6 0
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4415 11374 1 NOH7C9 ABC7D9 6.15 0.8 -8.97 -0.83 0
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4416 11375 1 N2H8C9 A2B8C9 49.31 2.99 -8.61 -0.61 0
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4417 11377 1 N2H8C9 A2B8C9 47.27 2.92 -8.54 -0.57 0
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4418 11378 1 NOH7C9 ABC7D9 11.14 7.75 -8.56 -1.2 0
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4419 11379 1 N2H8C9 A2B8C9 47.02 2.31 -8.66 -0.54 0
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4420 11380 1 ClN5C11H20 AB5C11D20 15.93 4.73 -9.09 0.0 0
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4421 11381 1 OH10C12 AB10C12 1.52 1.58 -9.04 -0.22 0
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4422 11382 2 NOH6C9 ABC6D9 89.36 3.66 -9.15 -0.56 0
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4423 11386 12 CH AB 21.49 1.45 -8.66 -0.23 0
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4424 11388 2 NC5H6 AB5C6 45.5 4.02 -9.34 0.01 0
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4426 11392 1 NO2H7C10 AB2C7D10 34.53 5.89 -9.64 -1.56 0
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4427 11393 2 OH5C6 AB5C6 -52.01 5.13 -9.3 -0.88 0
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4428 11395 2 NH7C10 AB7C10 128.16 0.29 -8.7 -1.17 0
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4429 11396 12 CH AB 19.98 0.35 -8.64 -0.22 0
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4430 11397 2 OH4C5 AB4C5 -50.59 3.44 -8.81 -0.61 0
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4431 11398 1 NC9H13 AB9C13 13.47 1.55 -9.38 0.38 0
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4432 11399 1 KO2H5C7 AB2C5D7 -100.46 7.28 -9.03 0.35 0
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4433 11400 1 NO2C9H11 AB2C9D11 -70.74 2.15 -8.76 -0.52 0
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4434 11402 1 FNOC12H18 ABCD12E18 -94.61 4.78 -9.36 0.01 0
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4435 11404 1 FNOC12H18 ABCD12E18 -86.5 4.66 -9.4 -0.03 0
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4436 11405 1 NOC10H15 ABC10D15 -35.32 2.11 -8.84 0.2 0
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4437 11406 2 OC5H5 AB5C5 -44.42 2.21 -10.08 -0.63 0
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4439 11410 1 SN2H6C7 AB2C6D7 54.91 4.26 -8.81 -0.43 0
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4440 11411 1 OSN2H8C10 ABC2D8E10 38.7 4.98 -9.27 -1.26 0
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4441 11414 2 BrH2C3 AB2C3 29.98 2.46 -9.76 -0.53 0
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4442 11415 1 BrIH4C6 ABC4D6 44.71 2.3 -9.59 -1.16 0
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4443 11417 1 NC7H9 AB7C9 15.34 3.4 -9.6 0.05 0
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4444 11418 1 OC7H14 AB7C14 -78.11 2.3 -10.1 2.97 0
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4445 11419 1 OC7H12 AB7C12 -64.19 3.66 -9.75 0.77 0
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4446 11421 2 OH2C3 AB2C3 -22.28 5.52 -9.84 -1.96 0
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4447 11422 1 BrNC7H8 ABC7D8 10.82 2.07 -8.41 0.02 0
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4448 11423 1 BrNC7H8 ABC7D8 15.25 3.5 -8.54 0.06 0
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4449 11424 2 OC4H4 AB4C4 -6.42 3.91 -9.39 -1.07 0
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4450 11425 2 IOC12H22 ABC12D22 -158.72 4.7 -9.11 -1.16 0
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4451 11426 2 NSO2C5H10 ABC2D5E10 -189.42 2.69 -9.35 -1.43 0
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4452 11427 1 SO3C5H10 AB3C5D10 -142.59 3.34 -9.24 0.14 0
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4453 11429 2 OC2H5 AB2C5 -110.06 3.18 -10.27 2.25 0
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4454 11430 1 CK2O3 AB2C3 -191.33 13.6 -7.6 0.79 0
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4455 11431 1 CRb2O3 AB2C3 -184.2 10.01 -8.37 1.76 0
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4456 11432 2 CH2N2 AB2C2 77.3 6.5 -10.2 -0.25 0
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4457 11434 1 HgOC14H21 ABC14D21 -23.6 1.83 0.0 0.0 0
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4458 11435 1 SN2O2C5H6 AB2C2D5E6 -55.8 5.07 -9.79 -1.01 0
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4459 11436 1 NaN3O5H8C13 AB3C5D8E13 -86.27 14.3 -8.69 -1.29 0
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4460 11439 1 NO2C4H5 AB2C4D5 -91.79 2.94 -10.86 -0.21 0
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4461 11440 1 O3C11H14 A3B11C14 -134.7 5.08 -9.47 -0.54 0
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4462 11442 1 O3C19H26 A3B19C26 -110.11 5.26 -9.25 -0.29 0
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4463 11443 1 N2O2H6C9 A2B2C6D9 -21.52 2.79 -9.21 -0.81 0
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4464 11444 1 O3N4C10H16 A3B4C10D16 -107.32 4.52 -9.69 0.12 0