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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4516 11534 1 BrNC2H2 ABC2D2 29.42 3.18 -11.24 -1.2 0
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4517 11535 2 C2H3 A2B3 30.47 0.47 -9.71 1.17 0
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4518 11538 1 CKNO ABCD -46.86 12.91 -8.23 -0.03 0
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4519 11541 1 NOC7H16 ABC7D16 -17.82 2.68 0.0 0.0 1
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4520 11542 1 C7H16 A7B16 -43.12 0.05 -10.92 4.18 0
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4521 11543 1 OC6H14 AB6C14 -83.46 1.94 -10.33 3.0 0
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4522 11548 1 ClN2O2C7H17 AB2C2D7E17 -126.47 7.41 -8.7 0.52 0
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4523 11550 1 OC7H14 AB7C14 -80.88 2.04 -10.23 2.88 0
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4524 11553 1 BrO2C3H5 AB2C3D5 -93.75 3.26 -10.96 -0.6 0
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4525 11555 1 SC4O6N8H14 AB4C6D8E14 -262.2 7.74 -9.88 -0.43 0
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4526 11556 1 OSN2C3H6 ABC2D3E6 -36.59 1.94 -9.83 -0.74 0
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4527 11557 1 NC2H3O4 AB2C3D4 -76.92 3.16 -11.8 -1.56 0
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4528 11558 1 O2C5H6 A2B5C6 -67.9 5.25 -11.0 -0.63 0
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4529 11562 1 BrNC6H6 ABC6D6 22.49 3.05 -8.81 -0.05 0
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4530 11566 1 OC7H14 AB7C14 -78.82 2.25 -10.2 2.84 0
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4531 11567 1 OC7H12 AB7C12 -65.66 3.61 -9.86 0.82 0
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4532 11569 2 OC4H4 AB4C4 -43.25 1.61 -9.16 -0.79 0
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4533 11570 1 NO2C10H13 AB2C10D13 -77.29 3.36 -8.71 0.12 0
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4534 11572 1 C7H12 A7B12 -9.43 0.35 -9.37 1.55 0
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4535 11573 1 C7H12 A7B12 -9.39 0.37 -9.46 1.49 0
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4536 11574 1 C7H12 A7B12 -8.17 0.55 -8.98 1.72 0
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4537 11576 1 O3C8H14 A3B8C14 -155.04 2.8 -10.61 0.24 0
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4538 11577 1 NO2C7H15 AB2C7D15 -118.52 2.37 -9.97 0.8 0
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4539 11578 1 CaO6C10H14 AB6C10D14 -390.44 1.87 -10.19 0.64 0
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4540 11579 1 O3C5H8 A3B5C8 -143.37 6.65 -10.85 -0.18 0
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4541 11582 1 C7H16 A7B16 -41.68 0.08 -10.95 4.1 0
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4542 11585 1 HgK2C4N4 AB2C4D4 -10.86 7.89 -10.14 0.14 0
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4543 11586 1 HgC4N4 AB4C4 152.99 6.29 -11.23 -2.43 -2
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4544 11587 1 C5H8 A5B8 23.57 0.23 -10.07 1.04 0
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4546 11593 1 O3C5H8 A3B5C8 -135.87 2.69 -10.29 0.38 0
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4547 11594 2 C4H9 A4B9 -46.69 0.11 -10.91 4.07 0
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4548 11595 1 ON2C5H12 AB2C5D12 -66.15 3.52 -9.96 1.17 0
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4549 11596 1 NO2C5H11 AB2C5D11 -110.27 2.14 -10.67 0.83 0
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4550 11597 6 CH2 AB2 -8.84 0.59 -10.05 1.3 0
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4551 11598 2 C3H5 A3B5 18.46 0.0 -9.99 1.11 0
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4552 11600 2 C3H5 A3B5 9.04 0.0 -8.79 0.59 0
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4553 11602 2 C3H5 A3B5 14.24 0.79 -9.19 0.4 0
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4554 11603 1 FC5H11 AB5C11 -76.33 1.76 -11.27 3.27 0
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4555 11604 1 NC5H7 AB5C7 33.6 3.53 -10.62 0.73 0
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4556 11605 2 C3H4 A3B4 19.71 0.84 -8.76 0.6 0
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4557 11609 1 NO3C7H15 AB3C7D15 -125.95 2.0 -10.28 -0.15 0
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4558 11610 7 CH2 AB2 -13.85 0.61 -10.05 1.29 0
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4559 11612 7 CH2 AB2 -17.52 0.09 -9.54 1.41 0
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4560 11618 1 OC6H12 AB6C12 -60.91 2.11 -9.47 2.46 0
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4561 11621 8 CH2 AB2 -21.83 0.08 -9.46 1.46 0
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4562 11623 1 FOC12H23 ABC12D23 -140.46 4.47 -10.08 0.72 0
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4563 11624 1 FO2C12H23 AB2C12D23 -187.23 4.58 -11.01 0.55 0
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4564 11627 2 FC4H8 AB4C8 -133.21 2.38 -10.81 3.26 0
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4565 11629 1 FOC8H15 ABC8D15 -112.63 4.01 -10.1 0.41 0
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4566 11631 1 ClFOC8H16 ABCD8E16 -130.19 0.67 -9.91 0.87 0