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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401412 135051197 1 ClNO3H16C21 ABC3D16E21 -18.73 1.61 -9.28 -0.59 0
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401413 135051198 1 NO5H19C23 AB5C19D23 -93.91 1.57 -9.65 -1.14 1
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401414 135051207 1 PSN2O2H26C29 ABC2D2E26F29 25.71 7.49 0.0 0.0 0
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401415 135051208 1 LiNSH4C7 ABCD4E7 75.52 9.56 -8.03 0.1 0
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401416 135051211 1 OSN2H14C16 ABC2D14E16 42.58 5.19 -9.52 -0.89 0
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401417 135051213 1 NOSiC19H31 ABCD19E31 -68.68 2.02 -8.7 0.25 0
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401418 135051214 1 NSiO2C20H33 ABC2D20E33 -113.56 1.33 -8.18 0.46 0
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401419 135051218 1 FNOCl3H7C9 ABCD3E7F9 -78.62 3.4 -10.02 -0.71 0
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401420 135051223 1 NOSH21C23 ABCD21E23 43.8 4.21 -8.52 -0.44 0
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401421 135051224 1 ClNaOSH4C7 ABCDE4F7 -54.73 4.36 -7.72 -0.36 0
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401422 135051225 1 ClOSH5C7 ABCD5E7 -8.31 2.91 -9.26 -1.08 0
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401423 135051227 1 KSN3C10H10 ABC3D10E10 28.49 7.35 -7.81 -0.13 0
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401424 135051231 1 INOCl3H7C9 ABCD3E7F9 -14.27 3.39 -9.69 -1.21 0
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401425 135051232 1 BrN2O2C23H25 AB2C2D23E25 -39.29 5.4 -8.56 -0.74 0
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401426 135051233 1 ISN2O2H13C19 ABC2D2E13F19 42.64 7.69 -8.88 -1.12 0
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401427 135051235 1 NOSiC32H45 ABCD32E45 -70.39 2.47 -8.15 -0.41 0
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401428 135051236 1 NaSO2H7C8 ABC2D7E8 -88.13 4.11 -7.32 -0.23 0
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401429 135051239 1 ClNO2C16H16 ABC2D16E16 -39.15 2.23 -9.48 -0.27 0
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401430 135051245 1 BrN2O2H13C17 AB2C2D13E17 85.32 3.75 -9.25 -1.94 0
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401431 135051250 1 NCl2C10H11 AB2C10D11 20.01 3.35 -8.45 0.0 0
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401432 135051251 1 BrNH8C9 ABC8D9 32.65 1.19 -8.93 -2.0 0
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401433 135051253 1 S3O4C10H10 A3B4C10D10 -119.09 4.7 -8.72 -1.52 0
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401434 135051269 1 IO4C21H23 AB4C21D23 -93.0 3.53 -8.57 -0.87 0
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401435 135051270 1 IO4C16H21 AB4C16D21 -129.22 2.98 -8.6 -0.9 0
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401436 135051271 1 S3H14C15 A3B14C15 32.45 3.58 -8.31 -1.67 0
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401437 135051272 1 O4S4C11H14 A4B4C11D14 -137.99 7.03 -8.43 -1.75 0
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401438 135051273 1 Cl2S2H14C23 A2B2C14D23 88.54 5.75 -8.45 -2.03 2
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401439 135051274 1 NCl2S4H7C8 AB2C4D7E8 108.73 2.11 -6.38 -3.23 0
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401440 135051276 1 BrOS3C13H13 ABC3D13E13 -5.37 3.46 -8.44 -2.0 0
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401441 135051280 1 N2O2S2H22C23 A2B2C2D22E23 26.17 6.01 -8.31 -0.71 0
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401442 135051281 2 NOSC12H12 ABCD12E12 18.27 2.09 -8.51 -0.65 0
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401443 135051283 1 ClS3O4H7C9 AB3C4D7E9 -119.07 1.94 -8.97 -1.69 0
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401444 135051284 1 PSO2Cl3H12C17 ABC2D3E12F17 -87.54 2.13 -8.7 -1.57 0
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401445 135051285 1 SSeH12C17 ABC12D17 99.74 5.6 -8.03 -1.97 1
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401446 135051290 1 NO2C11H14 AB2C11D14 -35.34 1.86 0.0 0.0 0
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401447 135051291 1 NOSCl2H13C15 ABCD2E13F15 -7.19 2.13 -8.83 -0.84 0
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401448 135051296 1 NSCl3F3O4H13C17 ABC3D3E4F13G17 -282.99 1.93 -9.7 -1.22 1
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401449 135051297 1 NOCl3H13C16 ABC3D13E16 5.82 1.27 0.0 0.0 0
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401450 135051300 1 NS2O3C16H19 AB2C3D16E19 -90.95 1.41 -8.3 -0.57 0
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401451 135051308 1 ClS2O4C7H9 AB2C4D7E9 16.93 14.39 -10.27 -2.97 0
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401452 135051309 1 ClS3H15C20 AB3C15D20 57.62 4.38 -8.36 -1.92 0
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401453 135051312 2 NSH10C11 ABC10D11 102.96 6.36 -8.48 -0.75 0
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401454 135051314 2 SH7C9 AB7C9 93.2 2.96 -8.34 -1.63 0
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401455 135051320 1 OSSiC14H20 ABCD14E20 -61.85 1.73 -7.79 -0.1 0
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401456 135051332 2 OSC6H6 ABC6D6 -48.74 5.64 -8.93 -1.56 0
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401457 135051333 2 SC3H3 AB3C3 45.79 2.99 -8.42 -1.7 0
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401458 135051335 1 S4H6C7 A4B6C7 89.14 2.83 -8.67 -1.95 0
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401459 135051341 1 ON3C12H15 AB3C12D15 46.61 3.92 -7.97 -0.69 0
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401460 135051346 1 OSiC14H22 ABC14D22 -58.8 1.61 -8.37 0.42 0
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401462 135051348 1 PWO7H19C24 ABC7D19E24 -25.17 6.66 -7.44 -1.68 0
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401463 135051349 1 PO2C19H19 AB2C19D19 -2.15 2.21 -9.06 -0.31 0
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401464 135051350 1 NO4C26H31 AB4C26D31 -99.15 5.93 -8.67 -0.45 0
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401465 135051351 1 NCl2O2C24H25 AB2C2D24E25 -34.08 1.95 -8.7 -1.02 0
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401466 135051352 1 OH16C21 AB16C21 51.73 3.3 -8.33 -0.66 0
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401467 135051354 1 ClS2O4C11H11 AB2C4D11E11 40.54 11.4 -9.98 -3.7 1
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401468 135051355 1 NSe2C15H18 AB2C15D18 46.91 2.39 0.0 0.0 0
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401469 135051359 1 ClOS2H13C16 ABC2D13E16 18.58 6.03 -8.66 -1.82 0
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401470 135051360 1 NOH23C24 ABC23D24 18.13 4.51 -8.4 -0.36 0
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401471 135051362 1 BrNC16H18 ABC16D18 39.28 4.71 -8.11 -0.18 0
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401472 135051365 1 BrOPH20C26 ABCD20E26 30.55 5.62 -9.08 -0.8 0
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401473 135051366 1 OPH19C26 ABC19D26 59.39 4.88 -8.69 -1.43 0
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401474 135051371 1 OSH16C20 ABC16D20 44.56 1.07 -8.04 -0.82 0
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401475 135051372 1 OS4C20H26 AB4C20D26 -59.7 4.38 -7.59 -1.5 0
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401476 135051373 1 S5H12C16 A5B12C16 79.88 6.52 -8.2 -2.35 0
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401477 135051376 1 ClS2H11C16 AB2C11D16 68.01 1.65 -8.32 -1.41 0
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401479 135051381 1 NO3H15C21 AB3C15D21 -14.93 4.19 -9.86 -0.86 0
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401480 135051383 2 SiO3C10H14 AB3C10D14 -269.07 2.5 -9.48 -0.68 0
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401481 135051387 1 OSiC14H22 ABC14D22 -61.0 1.8 -8.42 0.43 0
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401483 135051390 1 NO2C24H27 AB2C24D27 -14.51 3.51 -8.52 -0.58 0
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401484 135051396 1 OS2C6H6 AB2C6D6 -21.51 3.22 -8.5 -1.33 0
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401485 135051398 2 OSH6C8 ABC6D8 -10.74 5.91 -8.96 -1.64 0
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401486 135051406 1 I2P2C23H34 A2B2C23D34 -36.06 12.07 -7.51 -0.06 0
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401487 135051426 1 NO2S3H13C14 AB2C3D13E14 -2.58 4.02 -9.14 -1.65 0
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401488 135051430 1 O2C5H9 A2B5C9 -87.92 2.76 0.0 0.0 0
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401489 135051431 1 LiPC5H6 ABC5D6 30.27 10.01 -6.93 1.47 0
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401491 135051436 1 O2S2H20C33 A2B2C20D33 150.39 6.4 -8.83 -1.49 0
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401492 135051438 1 OS4C16H26 AB4C16D26 -40.71 1.46 -8.15 -0.76 0
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401493 135051439 1 Cl2S2O5H8C10 A2B2C5D8E10 12.57 13.84 -9.47 -3.66 0
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401494 135051440 1 BrOS3H15C18 ABC3D15E18 32.85 2.75 -8.41 -2.01 0
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401495 135051441 1 O2S3H18C21 A2B3C18D21 -4.92 2.64 -8.15 -1.69 0
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401496 135051444 1 OS2H12C17 AB2C12D17 33.15 3.27 -8.42 -1.37 0
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401497 135051447 1 ClOS2H15C17 ABC2D15E17 10.19 5.75 -8.79 -1.98 0
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401498 135051448 1 ClS2O5H15C17 AB2C5D15E17 26.55 15.23 -9.3 -2.98 0
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401499 135051450 1 O4S4C11H12 A4B4C11D12 -111.4 5.52 -8.7 -2.04 0
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401500 135051453 1 ClON2H15C16 ABC2D15E16 27.59 4.48 -8.39 -0.6 0
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401501 135051459 1 LiNH12C14 ABC12D14 68.69 7.29 -7.37 0.6 0
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401502 135051466 1 SiO3C23H26 AB3C23D26 -110.7 2.43 -9.66 -0.76 1
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401503 135051472 1 N2S2C21H31 A2B2C21D31 9.35 7.58 0.0 0.0 0
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401504 135051474 1 SSeH4C5 ABC4D5 58.22 4.38 -8.17 -2.07 0
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401505 135051477 1 OPC33H41 ABC33D41 25.44 1.81 -8.11 -0.55 0
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401506 135051478 2 BrO2H4C7 AB2C4D7 -74.73 1.87 -8.99 -0.55 0
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401507 135051479 1 BrNC17H18 ABC17D18 72.68 12.16 -8.39 -1.27 1
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401508 135051486 1 N2O2C11H11 A2B2C11D11 1.99 2.58 0.0 0.0 0
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401509 135051491 1 ClS2O4C12H13 AB2C4D12E13 35.37 14.9 -10.13 -2.9 1
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401510 135051495 1 NSe2C7H10 AB2C7D10 38.59 3.65 0.0 0.0 0
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401511 135051496 1 ClNS2O4C7H10 ABC2D4E7F10 27.56 14.4 -9.43 -2.52 0
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401512 135051499 1 S5H10C12 A5B10C12 73.61 6.63 -8.13 -2.3 0
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401513 135051500 1 BrNPH21C25 ABCD21E25 59.09 1.69 -8.46 -0.22 1
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401514 135051501 1 NPH21C25 ABC21D25 94.77 5.56 0.0 0.0 0
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401515 135051502 1 OSN2C14H18 ABC2D14E18 -9.38 3.58 -8.14 -0.37 0