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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413513 135086462 2 NOSH8C9 ABCD8E9 45.2 4.94 -8.64 -0.64 0
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413514 135086463 1 C25H26 A25B26 55.97 0.85 -9.0 -0.01 0
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413515 135086464 1 SH14C22 AB14C22 185.97 1.72 -8.32 -0.5 0
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413516 135086465 1 SH20C21 AB20C21 121.16 1.89 -8.11 -0.18 0
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413517 135086466 1 OSH16C21 ABC16D21 79.63 2.37 -8.58 -0.2 0
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413518 135086467 1 NSSiO3C15H21 ABCD3E15F21 -78.72 3.63 -9.57 -0.55 0
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413519 135086468 1 NO2C14H21 AB2C14D21 -80.37 4.61 -8.78 0.53 0
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413520 135086469 1 OC20H22 AB20C22 12.51 2.65 -9.14 0.31 0
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413521 135086470 1 ClNOC10H10 ABCD10E10 -27.29 2.26 -9.72 -0.43 0
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413522 135086471 1 NOH13C14 ABC13D14 -1.32 3.68 -9.1 -0.65 0
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413523 135086472 1 BrOSiN2F3C10H16 ABCD2E3F10G16 -202.41 6.95 -10.03 -0.62 0
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413524 135086473 1 O5C10H16 A5B10C16 -227.86 2.15 -9.98 0.24 0
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413525 135086474 2 O3C8H10 A3B8C10 -232.69 2.29 -9.48 0.15 0
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413526 135086475 1 OSC14H20 ABC14D20 -34.82 2.98 -9.31 -0.77 1
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413527 135086476 1 NOC9H12 ABC9D12 -15.29 3.22 0.0 0.0 1
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413528 135086477 1 BrNC8H9 ABC8D9 26.45 3.44 0.0 0.0 0
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413529 135086478 1 NOC18H21 ABC18D21 -5.28 2.13 -8.54 -0.02 0
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413530 135086479 1 NOC23H23 ABC23D23 28.2 1.1 -8.6 -0.17 0
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413531 135086480 2 O2C8H9 A2B8C9 -108.81 4.42 -9.49 -0.46 1
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413532 135086481 1 FN2C8H8 AB2C8D8 -8.2 3.37 0.0 0.0 0
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413533 135086482 1 SO3N4H20C21 AB3C4D20E21 -33.02 6.29 -8.68 -1.04 0
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413534 135086483 1 O2N3H11C13 A2B3C11D13 40.3 5.46 -8.41 -1.37 1
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413535 135086484 1 N4C13H13 A4B13C13 120.03 1.4 0.0 0.0 1
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413536 135086485 1 N4C14H15 A4B14C15 113.93 4.49 0.0 0.0 0
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413537 135086486 1 N2O4H12C17 A2B4C12D17 -11.46 6.17 -9.3 -1.88 0
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413538 135086487 1 SN2O3H16C18 AB2C3D16E18 3.48 6.26 -8.54 -0.94 0
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413539 135086488 1 SN2O4H18C19 AB2C4D18E19 -41.42 3.91 -8.23 -0.77 0
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413540 135086489 1 NOSH2C7F11 ABCD2E7F11 -563.25 1.27 -9.69 -2.28 0
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413541 135086490 1 FO2N3C22H22 AB2C3D22E22 -79.43 6.02 -8.66 -0.8 1
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413542 135086491 1 N2C13H13 A2B13C13 57.46 2.83 0.0 0.0 0
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413543 135086492 1 SO2N4H18C22 AB2C4D18E22 67.76 4.51 -8.57 -0.7 0
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413544 135086493 1 SO2N4H12C15 AB2C4D12E15 52.59 5.54 -8.74 -1.04 0
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413545 135086494 1 NSCl3O9H42C46 ABC3D9E42F46 -245.98 4.2 -8.54 -0.7 0
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413546 135086495 1 INSC10H10 ABCD10E10 71.44 4.31 -9.25 -1.08 0
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413547 135086496 1 FNC13H16 ABC13D16 -25.44 2.92 -9.13 0.58 0
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413548 135086497 1 NC14H17 AB14C17 74.27 0.79 -9.05 0.38 0
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413549 135086498 1 LiSiS2C10H21 ABC2D10E21 -63.93 7.38 -7.26 1.25 0
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413550 135086499 1 NOH13C14 ABC13D14 23.63 2.59 -9.29 -0.51 0
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413551 135086500 1 NOH13C14 ABC13D14 22.66 2.92 -9.28 -0.49 0
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413552 135086501 1 ClMgC10H17 ABC10D17 -83.93 4.13 -8.43 0.78 0
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413553 135086502 1 Cl2S2N4C5H14 A2B2C4D5E14 -50.92 5.18 -9.4 -0.36 0
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413554 135086503 1 NO4C11H17 AB4C11D17 -166.24 2.95 -10.2 0.52 0
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413555 135086504 1 OCl2C10H16 AB2C10D16 -78.82 3.65 -10.04 -0.65 0
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413556 135086505 1 ClOC11H11 ABC11D11 -12.35 3.67 -9.43 -0.61 0
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413557 135086506 1 ClN2O2H7C10 AB2C2D7E10 30.59 5.62 -9.1 -1.64 1
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413558 135086507 1 ClN2O2H8C10 AB2C2D8E10 21.25 3.79 0.0 0.0 0
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413559 135086508 1 BClBr2C10H20 ABC2D10E20 -88.04 1.96 -10.37 -0.16 0
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413560 135086509 1 NC14H15 AB14C15 99.95 2.96 -9.33 0.09 0
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413561 135086510 1 NSC11H11 ABC11D11 114.03 2.71 -9.04 -0.53 0
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413562 135086511 1 ClN3C4H12 AB3C4D12 -30.76 8.59 -9.74 0.48 0