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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413614 135086563 1 BN2O2H13C14 AB2C2D13E14 -76.87 2.84 -8.94 -0.39 0
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413615 135086564 1 INF3C12H13 ABC3D12E13 -122.79 3.37 -9.68 -1.5 0
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413616 135086565 1 NC9H13 AB9C13 55.31 2.11 -8.76 0.86 0
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413617 135086566 1 O5C8H10 A5B8C10 -191.07 3.0 -10.73 -1.12 0
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413618 135086567 1 NOH13C14 ABC13D14 22.92 3.73 -9.25 -0.49 0
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413619 135086568 1 ClIC12H20 ABC12D20 -13.61 2.5 -9.2 -0.64 0
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413620 135086569 2 IC6H10 AB6C10 15.47 2.59 -9.03 -0.68 0
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413621 135086570 1 NOSiF5C8H16 ABCD5E8F16 -360.85 2.75 -9.33 0.72 0
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413622 135086571 1 NOC7H9 ABC7D9 4.53 1.58 -9.31 0.47 0
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413623 135086572 1 LiNC10H20 ABC10D20 -20.33 5.18 -6.53 3.28 0
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413624 135086573 1 NC10H21 AB10C21 -30.35 1.83 -9.36 1.21 0
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413625 135086574 1 ON2C13H16 AB2C13D16 -27.89 3.64 -8.79 0.1 0
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413626 135086575 1 NC13H13 AB13C13 109.89 2.9 -9.28 -0.27 0
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413627 135086576 1 NOC14H15 ABC14D15 68.44 4.19 -8.67 -0.16 0
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413628 135086577 1 NO2C16H17 AB2C16D17 78.16 8.19 -9.73 -1.56 0
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413629 135086578 1 SCl2N2O6H20C29 AB2C2D6E20F29 -97.48 6.62 -8.71 -1.61 0
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413630 135086579 1 O2C15H16 A2B15C16 -0.14 6.08 -9.07 -0.65 0
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413631 135086580 1 SN2O2H16C17 AB2C2D16E17 4.55 4.98 -9.6 -0.8 0
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413632 135086581 1 NSO4C17H23 ABC4D17E23 -158.95 6.16 -10.2 -0.59 0
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413633 135086582 1 N2O3H18C19 A2B3C18D19 -41.01 3.36 -8.14 -0.89 0
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413634 135086583 1 OSi2C15H28 AB2C15D28 -124.4 1.87 -8.68 0.07 0
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413635 135086584 1 O3C22H22 A3B22C22 -71.5 1.95 -9.39 -0.63 0
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413636 135086585 1 SiO5C30H38 AB5C30D38 -186.22 2.72 -8.76 -0.92 0
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413637 135086586 1 SiO6C30H38 AB6C30D38 -205.87 3.23 -8.73 -0.88 0
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413638 135086587 1 NC18H21 AB18C21 57.28 1.78 -8.88 0.37 0
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413639 135086588 1 O2N3H15C16 A2B3C15D16 -15.36 4.42 -9.02 -0.74 0
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413640 135086589 1 O4C19H20 A4B19C20 -118.89 3.69 -8.96 -0.76 0
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413641 135086590 1 O3C13H16 A3B13C16 -99.94 4.62 -9.36 -0.57 0
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413642 135086591 1 SiO3C22H32 AB3C22D32 -165.34 2.06 -9.02 0.1 0
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413643 135086592 1 SiO3C23H34 AB3C23D34 -167.01 3.12 -9.02 0.13 0
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413644 135086593 1 ClO2C16H21 AB2C16D21 -99.34 2.39 -9.47 -0.37 0
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413645 135086594 1 CoN2O4C16H17 AB2C4D16E17 -15.83 29.65 -10.96 -6.69 0
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413646 135086595 1 ClO2C17H23 AB2C17D23 -104.08 2.32 -9.51 -0.23 0
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413647 135086596 1 SO2H16C18 AB2C16D18 12.29 6.9 -8.67 -0.68 0
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413648 135086597 1 NO3C20H23 AB3C20D23 -88.28 3.45 -8.73 -0.19 0
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413649 135086598 1 TeC26H30 AB26C30 60.63 3.55 -7.96 -0.33 0
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413650 135086599 4 C5H6 A5B6 23.28 0.45 -9.02 0.38 0
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413651 135086600 1 NSO2C12H15 ABC2D12E15 -53.72 1.48 -8.26 0.21 0
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413652 135086601 1 PO4H19C22 AB4C19D22 -118.81 4.54 -9.75 -0.44 0
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413653 135086602 1 PO4H21C23 AB4C21D23 -127.4 1.56 -9.28 -0.4 1
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413654 135086603 1 PO2C15H22 AB2C15D22 -100.85 2.66 0.0 0.0 1
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413655 135086604 1 PO2C14H14 AB2C14D14 0.29 3.02 0.0 0.0 0
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413656 135086605 1 IO2C22H33 AB2C22D33 -97.34 1.72 -9.34 -0.81 0
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413657 135086606 1 NSO3C17H19 ABC3D17E19 -93.04 5.32 -9.53 -0.51 0
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413658 135086607 1 NSO3C22H29 ABC3D22E29 -115.32 4.47 -9.33 -0.55 0
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413659 135086608 1 NSO3C10H13 ABC3D10E13 -97.18 4.63 -9.87 -0.92 0
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413660 135086609 1 SO6C18H18 AB6C18D18 -184.56 7.51 -9.05 -0.91 0
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413661 135086610 2 N2C7H10 A2B7C10 98.25 3.76 -8.93 -0.43 0
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413662 135086611 1 NOC21H21 ABC21D21 20.69 0.95 -8.6 -0.59 0
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413663 135086612 1 NOC21H27 ABC21D27 -14.11 0.86 -8.57 0.04 0