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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41603 8146473 1 SO3N4C20H29 AB3C4D20E29 -60.12 6.9 0.0 0.0 0
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41604 8146476 1 SO3N4C20H28 AB3C4D20E28 -79.47 5.51 -8.08 -0.3 1
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41605 8146482 1 SO3N4C21H29 AB3C4D21E29 -34.73 7.78 0.0 0.0 0
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41606 8146483 1 SO3N4C21H28 AB3C4D21E28 -49.53 3.75 -8.24 -0.35 1
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41607 8146514 1 NO4C20H26 AB4C20D26 -133.13 5.81 0.0 0.0 0
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41608 8146522 1 SO2N4C19H26 AB2C4D19E26 -37.76 4.24 -8.19 -0.23 0
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41609 8146534 1 NO5C21H27 AB5C21D27 -214.2 7.99 -8.62 -0.88 1
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41610 8146535 1 SO2N3H18C19 AB2C3D18E19 27.36 7.47 0.0 0.0 0
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41611 8146547 1 SN3O5C19H25 AB3C5D19E25 -142.35 5.9 -8.73 -0.87 1
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41612 8146551 1 SN3O5C19H26 AB3C5D19E26 -127.19 7.82 0.0 0.0 1
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41613 8146558 1 SO2N4C18H25 AB2C4D18E25 -11.76 5.11 0.0 0.0 0
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41614 8146559 1 SO2N4C18H24 AB2C4D18E24 -24.72 4.66 -8.33 -0.43 0
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41615 8146568 1 SO2N4C19H26 AB2C4D19E26 -35.18 3.06 -8.28 -0.2 0
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41616 8146579 1 ClO2N3H14C15 AB2C3D14E15 -19.64 5.34 -9.51 -0.93 0
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41617 8146592 1 N3O4C17H19 A3B4C17D19 -82.85 5.13 -8.55 -0.5 0
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41618 8146595 1 O2N3C16H23 A2B3C16D23 -71.21 1.65 -9.04 0.15 1
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41619 8146596 1 O2N3C16H24 A2B3C16D24 -52.21 1.94 0.0 0.0 0
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41620 8146598 1 O3N4H22C23 A3B4C22D23 2.5 5.65 -8.92 -0.4 1
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41621 8146601 1 O2N3C23H28 A2B3C23D28 -27.8 6.91 0.0 0.0 0
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41622 8146607 2 NOC9H9 ABC9D9 -6.3 5.69 -9.05 -1.14 0
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41623 8146608 1 SN4O4H16C19 AB4C4D16E19 -23.79 2.76 -8.88 -1.04 0
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41624 8146610 1 BrN2O2H17C18 AB2C2D17E18 -6.81 5.27 -9.21 -1.51 1
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41625 8146622 1 S2N4C19H23 A2B4C19D23 80.57 5.26 0.0 0.0 1
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41626 8146627 1 FN2O2C18H18 AB2C2D18E18 -48.42 8.54 0.0 0.0 1
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41627 8146629 1 S2N4C16H19 A2B4C16D19 116.67 4.87 0.0 0.0 0
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41628 8146630 2 SN2C8H9 AB2C8D9 119.27 8.26 -8.23 -1.4 0
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41629 8146631 2 ON2C9H11 AB2C9D11 6.4 10.17 -9.06 -0.4 1
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41630 8146634 1 SN3O3C19H20 AB3C3D19E20 16.7 5.81 0.0 0.0 0
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41631 8146637 1 O2S2N3H17C18 A2B2C3D17E18 8.02 4.7 -8.6 -0.95 1
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41632 8146639 1 FSO2N3H17C19 ABC2D3E17F19 -21.92 9.19 0.0 0.0 0
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41633 8146642 1 SN3O3C20H23 AB3C3D20E23 -18.2 4.73 -8.56 -0.9 0
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41634 8146644 1 FSO2N3H16C19 ABC2D3E16F19 -37.92 5.85 -8.78 -1.01 0
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41635 8146645 1 ClON4H15C16 ABC4D15E16 44.19 2.88 -9.4 -0.89 1
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41636 8146646 1 SN3O4C21H26 AB3C4D21E26 -37.34 4.54 0.0 0.0 0
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41637 8146647 1 SN3O4C21H25 AB3C4D21E25 -50.67 2.87 -8.35 -0.9 0
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41638 8146654 1 O2N3C16H17 A2B3C16D17 -14.97 6.67 -9.19 -0.6 0
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41639 8146656 1 O2N3C16H17 A2B3C16D17 -16.71 6.77 -9.12 -0.53 1
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41640 8146658 1 O2N3C16H18 A2B3C16D18 5.9 11.8 0.0 0.0 1
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41641 8146667 1 S2N4C19H23 A2B4C19D23 120.29 10.95 0.0 0.0 0
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41642 8146669 1 ClNO4C17H22 ABC4D17E22 -170.14 3.74 -9.26 -0.44 1
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41643 8146670 1 OSN5C18H22 ABC5D18E22 106.98 4.74 0.0 0.0 1
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41644 8146674 1 SN5C23H24 AB5C23D24 156.61 3.66 0.0 0.0 0
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41645 8146677 1 O2S2N3H17C18 A2B2C3D17E18 5.8 2.43 -8.53 -1.06 0
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41646 8146681 1 SN3O4C16H17 AB3C4D16E17 -113.76 6.22 -9.03 -1.32 0
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41647 8146683 1 SN5C17H21 AB5C17D21 88.69 4.11 -8.45 -1.04 0
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41648 8146689 1 SN3O3H15C17 AB3C3D15E17 -15.51 0.99 -8.71 -1.26 0
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41649 8146696 1 SN3O3H15C17 AB3C3D15E17 -20.17 4.31 -8.54 -1.07 0
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41650 8146697 1 BrN2O2H15C18 AB2C2D15E18 -0.87 3.27 -9.41 -1.22 1
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41651 8146698 1 O2N3C21H26 A2B3C21D26 -36.74 3.78 0.0 0.0 0
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41652 8146699 1 O2N3C21H25 A2B3C21D25 -46.1 1.59 -8.68 -0.01 1