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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230622 87571501 2 FSN2O3H15C16 ABC2D3E15F16 -190.16 0.78 -8.98 -1.28 0
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230623 87571502 1 SO4H11C15F17 AB4C11D15E17 -963.14 4.82 -10.77 -0.51 0
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230624 87571503 1 O3C5Si5H15 A3B5C5D15 -172.13 0.71 0.0 0.0 0
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230625 87571504 1 F2S2N3O6C28H29 A2B2C3D6E28F29 -235.26 6.89 -9.11 -1.23 0
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230626 87571510 1 ClS2N3O6C20H22 AB2C3D6E20F22 -171.63 10.16 -9.52 -1.37 0
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230627 87571517 1 Cl2S2F3N7O13C32H34 A2B2C3D7E13F32G34 -555.86 4.02 -9.3 -1.57 0
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230628 87571520 2 NO2C11H14 AB2C11D14 -96.41 4.26 -9.29 -0.13 0
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230629 87571523 1 Si5O6C18H44 A5B6C18D44 -638.72 4.09 -9.27 -0.02 0
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230630 87571525 1 F2S2N3O5H21C25 A2B2C3D5E21F25 -174.6 6.11 -9.44 -1.38 0
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230631 87571526 1 N9O9C53H61 A9B9C53D61 -186.53 6.46 -8.01 -1.04 0
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230632 87571533 1 NSi2C12H29 AB2C12D29 -83.69 0.82 -7.41 0.52 0
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230633 87571535 1 NSi2C12H29 AB2C12D29 -67.6 1.35 -8.58 0.8 0
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230634 87571538 1 NOSiC10H18 ABCD10E18 20.26 1.78 0.0 0.0 0
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230635 87571541 1 NH31C33 AB31C33 125.39 2.35 -8.05 -0.01 0
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230636 87571544 1 NSiC11H22 ABC11D22 52.08 2.86 0.0 0.0 0
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230637 87571545 1 NSiC11H23 ABC11D23 23.86 2.53 -6.93 -1.01 0
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230638 87571546 1 SO2H18C28 AB2C18D28 49.24 5.96 -8.54 -1.39 0
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230639 87571547 1 NSi2C17H39 AB2C17D39 -108.17 0.58 -7.56 0.45 0
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230640 87571549 1 O5N12C43H74 A5B12C43D74 -102.27 9.55 -8.3 -1.88 0
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230641 87571550 1 NSi2C17H37 AB2C17D37 -27.75 0.86 -6.28 -0.48 0
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230642 87571551 1 NSi2C17H38 AB2C17D38 -55.92 2.58 0.0 0.0 0
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230643 87571553 1 NSi2C14H33 AB2C14D33 -69.12 1.49 -8.34 0.93 0
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230644 87571554 1 NSi2C14H30 AB2C14D30 18.2 3.51 0.0 0.0 0
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230645 87571555 1 NSi2C14H31 AB2C14D31 61.21 2.3 -4.36 -2.65 0
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230646 87571556 1 PO2S2C6H11 AB2C2D6E11 -129.63 2.9 -9.54 -0.64 0
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230647 87571557 1 NOS2C10H11 ABC2D10E11 14.51 7.41 -8.71 -0.79 0
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230648 87571558 1 ON3C25H29 AB3C25D29 41.02 2.33 -8.73 -0.35 0
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230649 87571559 1 BrClSO2N4H12C18 ABCD2E4F12G18 39.03 6.47 -8.83 -1.17 -1
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230650 87571564 1 ClNO6C9H15 ABC6D9E15 -149.56 1.4 0.0 0.0 0
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230651 87571565 1 ClNO6C9H16 ABC6D9E16 -209.46 2.09 -11.26 -0.96 0
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230652 87571566 1 N3O3C14H17 A3B3C14D17 -53.55 7.25 -9.93 -0.49 1
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230653 87571567 1 N3O3C14H18 A3B3C14D18 -51.86 7.2 0.0 0.0 0
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230654 87571570 1 NO4C7H11 AB4C7D11 -127.45 4.28 -10.46 -0.84 0
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230655 87571571 1 O5N10C36H52 A5B10C36D52 -31.4 4.93 -8.48 -2.54 0
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230656 87571572 1 ClN2O3C18H19 AB2C3D18E19 -82.75 3.87 -9.06 -1.12 0
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230659 87571585 1 FeC6O7H12 AB6C7D12 -234.08 2.04 -8.93 0.64 0
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230660 87571586 1 FN2O10C26H37 AB2C10D26E37 -458.08 5.94 -8.76 -0.34 0
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230661 87571589 1 F2S2N3O6H27C31 A2B2C3D6E27F31 -192.33 10.27 -8.93 -1.26 0
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230662 87571590 1 FIN2O3C14H16 ABC2D3E14F16 -125.77 9.08 -9.49 -1.38 0
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230663 87571591 1 BrN2F3O9C22H26 AB2C3D9E22F26 -501.35 3.64 -9.3 -0.54 0
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230664 87571594 1 F2N3C20H25 A2B3C20D25 -48.76 4.86 -8.48 -0.6 0
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230665 87571599 1 ClSO2N10H23C24 ABC2D10E23F24 66.46 10.24 -9.36 -1.54 0
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230666 87571601 1 PdO2C14H28 AB2C14D28 -66.72 4.7 -7.26 0.53 0
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230668 87571605 1 NSO7C20H29 ABC7D20E29 -261.06 9.29 -9.6 -1.01 0
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230669 87571606 1 N2O3C21H42 A2B3C21D42 -203.59 8.68 -9.35 0.71 0
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230670 87571614 1 O3N5C29H37 A3B5C29D37 -28.55 5.28 -8.14 -0.43 0
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230671 87571621 1 SO3C6H14 AB3C6D14 -149.82 5.2 -8.88 0.24 0
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230672 87571623 1 ClNO5C19H26 ABC5D19E26 -180.85 2.8 -8.98 -0.48 0
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230673 87571625 1 ClSN2O5H15C16 ABC2D5E15F16 -121.61 5.8 -8.88 -1.25 0
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230674 87571626 1 KSO5H6C7 ABC5D6E7 -236.77 7.43 0.0 0.0 -1