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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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382470 134973651 1 INC7H14 ABC7D14 -3.11 1.97 -8.7 -0.87 1
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382471 134973662 5 CNH2 ABC2 89.13 8.23 0.0 0.0 0
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382472 134973663 1 O3C13H20 A3B13C20 -114.06 2.03 -10.49 -0.18 0
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382473 134973665 1 ClO9C22H31 AB9C22D31 -410.15 2.71 -9.08 -0.56 0
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382474 134973666 4 OC4H7 AB4C7 -235.86 2.56 -10.35 0.75 0
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382475 134973667 1 NSO9C30H45 ABC9D30E45 -317.02 9.63 -9.62 -0.52 0
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382476 134973668 1 O10C61H64 A10B61C64 -240.68 2.94 -8.98 0.02 0
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382477 134973669 2 NH5C6 AB5C6 87.09 6.47 -10.12 -0.82 0
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382478 134973670 1 N3O6C27H37 A3B6C27D37 -237.43 4.23 -8.97 -0.62 0
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382479 134973671 1 N2O6C17H26 A2B6C17D26 -259.27 5.17 -9.36 -0.92 0
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382480 134973673 1 SO3C16H16 AB3C16D16 -94.19 3.11 -8.99 -0.22 0
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382481 134973675 1 BrNO4C16H24 ABC4D16E24 -161.2 2.27 -8.57 -0.19 0
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382482 134973678 1 BrN2O4C21H29 AB2C4D21E29 -177.38 5.25 -8.37 -0.35 0
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382483 134973680 1 NOSiC11H21 ABCD11E21 -99.39 4.72 -9.69 1.38 0
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382484 134973681 1 O3C19H24 A3B19C24 -122.7 3.28 -9.36 0.18 0
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382485 134973682 1 O3C19H24 A3B19C24 -118.43 5.64 -9.75 -0.14 0
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382486 134973683 1 SiO3C22H32 AB3C22D32 -173.15 2.67 -9.01 0.3 1
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382487 134973686 1 N2O5C18H23 A2B5C18D23 -102.7 7.02 0.0 0.0 0
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382488 134973687 6 NC3H4 AB3C4 111.13 8.47 -9.51 -0.6 0
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382489 134973688 1 ON6C18H24 AB6C18D24 76.57 10.74 -8.81 -0.89 0
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382490 134973689 1 ON6C18H24 AB6C18D24 74.69 10.6 -8.79 -0.79 0
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382491 134973690 1 N2O3C18H24 A2B3C18D24 -92.87 5.44 -8.38 -0.18 0
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382492 134973691 1 N6C17H20 A6B17C20 145.7 7.47 -9.62 -0.78 -2
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382493 134973692 1 YN2O4H16C18 AB2C4D16E18 -31.88 8.91 0.0 0.0 -2
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382495 134973695 1 N2O3C18H24 A2B3C18D24 -95.73 5.35 -8.37 -0.17 0
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382496 134973697 6 NC3H4 AB3C4 113.96 9.52 -9.5 -0.58 0
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382497 134973698 1 N6C15H26 A6B15C26 65.3 9.86 -9.4 -0.41 0
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382498 134973702 2 N2C9H12 A2B9C12 56.42 7.47 -9.33 -0.15 0
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382499 134973704 1 NO3C19H31 AB3C19D31 -162.71 5.82 -8.82 0.76 0
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382500 134973705 1 LiO3C16H21 AB3C16D21 -37.15 31.04 -5.73 -2.48 0
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382501 134973706 1 O3C16H22 A3B16C22 -131.96 3.57 -9.43 0.02 0
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382502 134973707 1 O5C18H26 A5B18C26 -231.68 2.25 -10.0 -0.92 0
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382503 134973708 1 O5C20H28 A5B20C28 -203.97 2.41 -9.86 -0.75 0
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382504 134973710 1 PO7H39C42 AB7C39D42 -143.74 7.3 -8.5 -0.46 0
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382505 134973711 2 O3C17H18 A3B17C18 -166.79 2.79 -9.01 -0.05 1
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382506 134973712 1 ClNH17C19 ABC17D19 61.84 3.65 0.0 0.0 0
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382507 134973714 5 OC4H4 AB4C4 -153.28 2.91 -8.98 -0.43 0
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382508 134973715 1 O3C19H20 A3B19C20 -76.47 2.13 -8.96 -0.42 0
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382509 134973716 1 N2O3C24H28 A2B3C24D28 -91.22 7.7 -9.3 -0.02 0
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382510 134973717 1 N2O3C31H34 A2B3C31D34 -66.6 6.95 -9.25 -0.08 0
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382511 134973718 2 NOC11H13 ABC11D13 -41.82 5.17 -9.07 -0.16 0
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382512 134973720 1 O2N3C17H21 A2B3C17D21 -47.47 3.7 -8.64 -0.2 1
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382513 134973722 1 OC8H13 AB8C13 -41.96 2.44 0.0 0.0 0
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382514 134973723 1 NO4C26H27 AB4C26D27 -41.75 7.4 -8.83 -1.23 0
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382515 134973725 1 CrO2C12H16 AB2C12D16 -56.93 3.37 -7.6 -0.21 0
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382516 134973726 1 SF3O5C16H19 AB3C5D16E19 -288.31 2.67 -9.52 -1.52 0
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382517 134973727 1 O5C25H28 A5B25C28 -144.73 5.88 -9.48 -0.56 0
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382518 134973730 1 CrO7H20C21 AB7C20D21 -45.8 3.96 -7.48 0.22 0
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382519 134973731 1 CrO2C16H20 AB2C16D20 26.04 3.19 -7.53 0.18 0
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382520 134973732 1 CrO6H16C19 AB6C16D19 10.95 3.11 -7.48 0.3 0