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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79603 49829692 1 N3O5C22H33 A3B5C22D33 -107.74 11.92 -6.29 -0.29 0
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79604 49829693 2 ClNO2C10H10 ABC2D10E10 -160.48 4.41 -9.04 -0.71 2
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79605 49829699 1 O2N3C25H31 A2B3C25D31 10.85 10.23 -6.32 -0.05 2
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79606 49829703 1 O3N4C22H34 A3B4C22D34 -64.86 4.45 -8.83 -0.13 0
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79607 49829705 1 SN2O4C21H26 AB2C4D21E26 -128.41 3.23 -9.01 -0.74 1
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79608 49829706 1 FN2O5C21H30 AB2C5D21E30 -226.57 4.91 0.0 0.0 1
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79609 49829710 1 N2O5C23H31 A2B5C23D31 -135.56 8.81 0.0 0.0 1
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79610 49829711 1 ClS2N3O3C17H23 AB2C3D3E17F23 -52.54 4.96 0.0 0.0 1
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79611 49829712 1 N2O7C20H25 A2B7C20D25 -143.87 14.36 0.0 0.0 1
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79612 49829716 1 N3O4C23H28 A3B4C23D28 -103.79 6.34 0.0 0.0 0
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79613 49829717 1 N3O4C23H27 A3B4C23D27 -122.24 5.77 -8.74 -0.14 1
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79614 49829719 1 FON6C22H24 ABC6D22E24 66.81 4.96 0.0 0.0 0
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79615 49829725 1 ClN3O6H14C18 AB3C6D14E18 -92.03 5.16 -9.82 -1.88 0
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79616 49829728 1 SN3O4C21H25 AB3C4D21E25 -114.37 6.62 -9.42 -0.71 0
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79617 49829733 1 N5O5C20H33 A5B5C20D33 -208.77 2.49 -9.4 -0.36 0
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79618 49829735 1 NSF2O5C19H19 ABC2D5E19F19 -255.46 7.56 -9.73 -1.3 0
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79619 49829738 1 NO6C23H25 AB6C23D25 -159.14 6.84 -8.43 -1.31 0
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79620 49829739 1 N2O3C25H32 A2B3C25D32 -123.34 2.32 -8.9 -0.49 1
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79621 49829742 1 O3N4C23H31 A3B4C23D31 -74.02 3.97 0.0 0.0 0
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79622 49829743 1 O3N4C23H30 A3B4C23D30 -84.01 3.77 -8.89 -0.15 0
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79623 49829761 1 ClN3O5H18C20 AB3C5D18E20 -158.21 4.02 -9.35 -1.51 0
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79624 49829764 1 SN2O3C24H24 AB2C3D24E24 -34.61 1.62 -8.52 -0.16 1
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79625 49829767 1 N3O3C25H34 A3B3C25D34 -91.29 4.87 0.0 0.0 0
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79626 49829771 1 SN2O3C23H24 AB2C3D23E24 -47.71 5.66 -8.66 -0.7 0
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79627 49829773 1 NO5C25H29 AB5C25D29 -158.62 6.0 -8.7 -0.96 1