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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408623 135081391 1 N5H25C51 A5B25C51 440.54 2.69 -8.72 -2.18 0
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408624 135081392 2 OC5H9 AB5C9 -104.08 2.88 -9.66 1.3 0
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408625 135081393 1 NO9C28H47 AB9C28D47 -418.3 1.07 -8.73 0.96 0
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408627 135081395 1 NO6C10H13 AB6C10D13 -210.78 1.09 -10.47 -1.12 0
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408628 135081396 1 BC15H29 AB15C29 -72.49 0.29 -9.44 0.68 0
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408629 135081397 1 ClNH2S3C4 ABC2D3E4 74.14 4.37 -8.49 -1.57 0
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408630 135081398 1 N2O4H10C11 A2B4C10D11 -67.84 6.61 -9.32 -1.29 1
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408631 135081399 1 N2O4C11H11 A2B4C11D11 -73.1 6.45 0.0 0.0 0
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408632 135081400 1 O3C10H16 A3B10C16 -158.48 5.94 -10.35 0.54 0
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408633 135081401 1 PtSeBr2C5H10 ABC2D5E10 67.25 2.86 -8.98 -2.81 0
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408634 135081402 1 PtSeI2C5H10 ABC2D5E10 114.23 3.34 -8.96 -3.99 0
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408635 135081403 1 PtSBr2C6H12 ABC2D6E12 65.52 1.79 -8.98 -3.09 0
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408636 135081404 1 BO4C17H31 AB4C17D31 -279.67 2.61 -8.92 1.27 0
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408638 135081406 1 BCl2H18C21 AB2C18D21 86.08 5.29 0.0 0.0 0
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408639 135081407 1 BC15H31 AB15C31 -65.9 0.36 -8.95 0.68 1
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408640 135081408 1 KC7H13 AB7C13 5.29 9.05 -5.29 0.34 0
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408641 135081409 1 C7H13 A7B13 2.75 0.42 0.0 0.0 1
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408642 135081410 1 KC8H15 AB8C15 -0.44 9.14 -5.38 0.28 0
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408643 135081411 1 C8H15 A8B15 -0.92 0.19 0.0 0.0 1
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408644 135081412 1 KC5H9 AB5C9 12.2 9.09 -5.28 0.34 1
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408645 135081413 1 KC8H13 AB8C13 9.74 9.03 -5.38 0.32 0
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408646 135081414 1 C8H13 A8B13 10.65 0.77 0.0 0.0 0
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408647 135081415 1 KC13H17 AB13C17 17.34 9.45 -5.99 0.19 0
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408648 135081416 1 FKH6C7 ABC6D7 -34.89 10.34 -5.9 -0.04 1
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408649 135081417 1 NK2O2C13H23 AB2C2D13E23 -144.85 3.28 -5.12 0.71 0
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408650 135081418 1 NO2C13H24 AB2C13D24 -109.29 1.95 0.0 0.0 1
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408651 135081419 1 NSiK2O3C16H31 ABC2D3E16F31 -244.34 14.12 -5.46 0.4 0
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408652 135081420 1 NSiO3C16H32 ABC3D16E32 -204.67 2.82 0.0 0.0 1
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408653 135081421 1 NK2O2C10H17 AB2C2D10E17 -132.11 8.88 -5.36 0.65 0
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408654 135081422 1 NO2C10H18 AB2C10D18 -95.72 2.07 0.0 0.0 0
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408655 135081423 1 ClKH6C7 ABC6D7 -1.5 10.63 -6.06 -0.13 0
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408656 135081424 1 BrKH6C7 ABC6D7 8.37 10.54 -6.13 -0.16 0
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408657 135081425 1 ClKH6C7 ABC6D7 -4.16 10.19 -6.29 -0.17 1
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408658 135081426 1 KSiC9H19 ABC9D19 -38.82 10.05 -5.79 0.16 0
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408659 135081427 1 SiC9H19 AB9C19 -29.82 0.34 0.0 0.0 0
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408660 135081428 1 KF2H3C6 AB2C3D6 -61.48 9.66 -7.2 0.1 1
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408661 135081429 1 KSiC11H23 ABC11D23 7.09 35.41 -4.06 -1.88 0
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408662 135081430 1 SiC11H23 AB11C23 -39.79 0.34 0.0 0.0 1
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408663 135081431 1 KSiC15H31 ABC15D31 -8.8 35.66 -4.13 -1.64 0
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408664 135081432 1 SiC15H31 AB15C31 -59.4 0.37 0.0 0.0 1
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408665 135081433 1 KSiC7H15 ABC7D15 -28.5 10.03 -5.71 0.2 0
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408666 135081434 1 SiC7H15 AB7C15 -20.37 0.42 0.0 0.0 1
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408667 135081435 1 KSiC7H15 ABC7D15 -15.46 9.93 -5.11 0.3 0
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408668 135081436 1 FKSiO2C11H16 ABCD2E11F16 -143.2 9.26 -7.36 0.56 0
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408669 135081437 1 KO2F3H8C9 AB2C3D8E9 -233.99 6.31 -7.89 0.24 0
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408670 135081438 1 KO2F3H8C9 AB2C3D8E9 -225.37 8.88 -6.87 -0.07 1
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408671 135081439 1 KH19C22 AB19C22 84.2 9.21 -5.81 0.13 0
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408672 135081440 1 H19C22 A19B22 108.85 0.02 0.0 0.0 1
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408673 135081441 1 KC9H9 AB9C9 23.37 10.17 -5.94 -0.1 1
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408674 135081442 1 KC6H9 AB6C9 32.31 8.78 -5.44 0.29 1