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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39603 8141567 1 ClN3O5H16C18 AB3C5D16E18 -140.26 4.23 -9.21 -0.79 0
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39604 8141574 1 N3O5C21H23 A3B5C21D23 -140.86 4.47 -9.01 -0.47 0
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39605 8141576 1 N3O5C21H23 A3B5C21D23 -142.68 4.12 -9.11 -0.43 0
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39606 8141586 1 N3O6C21H23 A3B6C21D23 -169.9 3.22 -8.69 -0.56 0
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39607 8141587 1 SN3O4C20H21 AB3C4D20E21 -97.13 3.26 -8.77 -0.48 0
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39608 8141602 1 F2N2O3H16C17 A2B2C3D16E17 -172.63 6.58 -9.3 -0.65 0
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39609 8141611 1 ClSF2N2O2H11C17 ABC2D2E2F11G17 -119.29 8.43 -9.08 -1.59 0
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39610 8141616 1 SF2N2O2H18C22 AB2C2D2E18F22 -103.26 6.96 -9.08 -0.88 0
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39611 8141623 1 ClF2N2O2C19H19 AB2C2D2E19F19 -161.83 5.3 -9.16 -0.57 0
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39612 8141624 1 F2N2O2C25H26 A2B2C2D25E26 -159.27 7.28 -9.08 -0.39 0
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39613 8141636 1 SF2N2O3H14C20 AB2C2D3E14F20 -134.78 3.1 -8.82 -1.29 0
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39614 8141657 1 SO2N3C24H29 AB2C3D24E29 -75.62 6.04 -8.54 -0.38 0
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39615 8141658 1 ClS2N3O4H10C15 AB2C3D4E10F15 11.53 4.79 -9.07 -1.34 0
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39616 8141669 1 ClN2O2S2H11C14 AB2C2D2E11F14 -1.05 5.86 -8.72 -0.98 0
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39617 8141670 1 ClN2S2O3H13C16 AB2C2D3E13F16 -21.98 5.63 -8.82 -1.09 0
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39618 8141671 1 ClN2S2O3H13C16 AB2C2D3E13F16 -19.58 6.75 -8.75 -1.01 0
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39619 8141672 1 ClN2S2O3H15C17 AB2C2D3E15F17 -26.38 1.35 -8.53 -1.29 0
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39620 8141673 1 ClS2N3O3H14C17 AB2C3D3E14F17 -30.01 5.69 -8.77 -0.98 0
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39621 8141674 1 ClS2N3O3H10C14 AB2C3D3E10F14 -19.41 5.99 -8.74 -0.98 0
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39622 8141676 1 ClFO2S2N3H11C16 ABC2D2E3F11G16 -37.17 5.85 -8.76 -1.07 0
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39623 8141678 1 ClN2O2S2C18H19 AB2C2D2E18F19 -49.85 5.98 -8.76 -1.01 0
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39624 8141679 1 ClN2S2O3H15C17 AB2C2D3E15F17 -29.0 7.93 -8.73 -0.98 0
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39625 8141680 3 NOH5C6 ABC5D6 -16.21 3.08 -8.41 -1.07 0
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39626 8141683 1 ClON3H14C17 ABC3D14E17 44.48 4.74 -9.35 -0.96 0
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39627 8141684 1 N2O5C19H22 A2B5C19D22 -191.87 4.16 -9.77 -0.78 0
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39628 8141689 1 N2O4C17H20 A2B4C17D20 -150.82 3.51 -9.38 -0.11 0
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39629 8141691 1 N2O4H12C17 A2B4C12D17 -42.12 1.71 -8.78 -1.34 0
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39630 8141692 1 N3O3C23H33 A3B3C23D33 -150.03 6.5 -9.04 -0.14 0
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39631 8141693 1 ON3C22H25 AB3C22D25 24.8 4.4 -9.22 -0.92 0
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39632 8141705 1 SO3N5C15H21 AB3C5D15E21 -92.61 9.21 -9.38 -0.74 0
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39633 8141707 1 ON6H22C23 AB6C22D23 90.89 5.73 -8.82 -1.17 0
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39634 8141708 1 ClSO3N4C18H19 ABC3D4E18F19 -98.66 3.04 -9.23 -1.15 0
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39635 8141709 1 ClOSN4H11C17 ABCD4E11F17 80.24 4.28 -9.14 -1.28 0
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39636 8141715 1 FSO3N4H19C20 ABC3D4E19F20 -59.53 4.78 -9.41 -1.04 0
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39637 8141716 1 FSO3N4H19C20 ABC3D4E19F20 -61.46 6.99 -9.32 -1.04 0
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39638 8141722 1 O2N4C21H22 A2B4C21D22 1.47 5.62 -9.11 -1.16 0
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39639 8141730 1 N3O5C23H37 A3B5C23D37 -217.81 5.8 -8.67 -0.16 0
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39640 8141732 1 BrO2N3C17H24 AB2C3D17E24 -80.4 4.19 -9.15 -0.63 0
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39641 8141734 1 SN4O4C19H30 AB4C4D19E30 -159.52 8.23 -9.19 -0.93 1
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39642 8141737 1 ClN3O3C21H33 AB3C3D21E33 -131.6 3.21 0.0 0.0 0
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39643 8141738 1 ClN3O3C21H32 AB3C3D21E32 -153.7 3.07 -8.65 0.04 1
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39644 8141739 1 N3O4C21H32 A3B4C21D32 -127.31 7.04 0.0 0.0 0
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39645 8141740 1 N3O4C21H31 A3B4C21D31 -149.15 4.49 -8.48 -0.46 1
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39646 8141741 1 BrN3O3C18H27 AB3C3D18E27 -96.63 3.06 0.0 0.0 0
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39647 8141742 1 BrN3O3C18H26 AB3C3D18E26 -119.92 4.81 -9.2 -0.29 1
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39648 8141745 1 ClN3O3C20H31 AB3C3D20E31 -124.11 3.98 0.0 0.0 0
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39649 8141746 1 ClN3O3C20H30 AB3C3D20E30 -146.51 0.4 -9.08 -0.31 1
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39650 8141747 1 N4O4C20H27 A4B4C20D27 -128.34 7.1 0.0 0.0 0
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39651 8141748 2 N2O2C10H13 A2B2C10D13 -149.68 1.76 -9.02 -1.52 1
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39652 8141751 1 ClN4O4C17H24 AB4C4D17E24 -72.36 3.76 0.0 0.0 0