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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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