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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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336623 127255630 1 NaSN2O5C20H23 ABC2D5E20F23 -209.84 5.85 -8.44 -0.58 0
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336624 127255631 1 FSN5O5C35H48 ABC5D5E35F48 -226.25 5.67 -8.73 -0.5 0
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336626 127255633 1 PN2O8C24H29 AB2C8D24E29 -338.9 2.78 -8.45 -0.36 0
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336627 127255634 1 O4C27H44 A4B27C44 -223.93 4.23 -8.51 0.32 0
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336628 127255635 1 I2O2N5H23C27 A2B2C5D23E27 160.92 35.07 -5.0 -3.24 2
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336629 127255636 1 O2N5H23C27 A2B5C23D27 141.03 5.39 -4.52 -2.62 0
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336630 127255637 1 O3C27H44 A3B27C44 -181.16 1.54 -8.65 0.22 0
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336632 127255639 1 ClN3O8C31H46 AB3C8D31E46 -334.81 6.9 -8.58 -0.47 0
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336633 127255640 1 N6O10C49H78 A6B10C49D78 -463.87 3.78 -8.55 -1.53 0
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336634 127255641 1 ClN3O8C31H44 AB3C8D31E44 -300.48 6.7 -8.85 -1.56 0
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336635 127255642 1 N2O3C33H46 A2B3C33D46 -90.09 11.56 -9.46 -1.35 0
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336636 127255643 1 OCl2N3C18H19 AB2C3D18E19 27.42 5.06 -8.84 -0.86 0
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336637 127255644 1 CaP2N10O16C36H48 AB2C10D16E36F48 -651.1 9.56 -4.88 -1.3 0
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336638 127255645 1 CaNNaP2C5O7H13 ABCD2E5F7G13 -466.01 6.99 0.0 0.0 0
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336639 127255646 1 NaP2N7O16C19H27 AB2C7D16E19F27 -746.37 12.62 0.0 0.0 0
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336640 127255647 2 MgPC3H5O6 ABC3D5E6 -614.82 20.1 -9.45 -4.1 0
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336641 127255648 1 SrP2C6O12H14 AB2C6D12E14 -957.51 4.82 -9.67 -0.58 0
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336642 127255649 1 N2O2C5H8 A2B2C5D8 -78.44 4.02 -10.34 0.5 0
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336643 127255650 1 N2O4H16C17 A2B4C16D17 -96.07 5.43 -8.52 -0.77 0
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336644 127255651 1 ClN2O4C15H19 AB2C4D15E19 -193.19 4.72 -9.85 -1.71 0
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336645 127255652 1 N2O4C15H18 A2B4C15D18 -155.74 5.1 -9.6 -1.62 0
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336646 127255653 1 ClN2O3C11H19 AB2C3D11E19 -161.62 1.31 -9.29 -0.2 0
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336647 127255654 1 N2O3C11H18 A2B3C11D18 -130.44 3.51 -9.19 -0.19 0
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336648 127255655 1 ClN2O3C12H25 AB2C3D12E25 -210.1 5.59 -9.59 0.86 0
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336649 127255656 1 ClNO2C10H20 ABC2D10E20 -158.13 1.28 -9.18 0.76 0
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336650 127255657 1 BNO6C16H28 ABC6D16E28 -382.9 6.69 -9.74 0.25 0
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336651 127255658 1 BrClNC11H15 ABCD11E15 -21.27 5.77 -9.6 -0.35 0
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336652 127255659 2 NO2C5H6 AB2C5D6 -73.25 4.64 -10.93 -1.92 0
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336653 127255660 1 BN3O4C22H36 AB3C4D22E36 -255.06 3.86 -9.25 0.65 0
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336654 127255661 1 BN3O4C22H36 AB3C4D22E36 -252.6 1.92 -9.26 0.68 0
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336655 127255662 1 BrFNO2C11H11 ABCD2E11F11 -111.44 5.56 -9.86 -0.67 0
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336656 127255663 1 BrClN2O2C12H18 ABC2D2E12F18 -126.37 2.69 -10.09 -1.03 0
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336657 127255664 1 BrSN2O3H7C8 ABC2D3E7F8 -61.66 2.37 -9.6 -1.36 0
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336658 127255665 1 SO3C7H8 AB3C7D8 -108.21 3.34 -9.53 -1.23 0
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336659 127255666 1 ClNOC10H16 ABCD10E16 -68.59 0.92 -9.7 -0.05 0
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336660 127255667 1 NC19H21 AB19C21 110.37 1.22 -8.78 0.2 0
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336661 127255668 1 OCl2H14C16 AB2C14D16 -23.16 4.17 -9.29 -0.38 0
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336662 127255669 1 BrNH8C10 ABC8D10 45.64 4.08 -9.84 -1.08 0
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336663 127255670 1 BrO3C11H11 AB3C11D11 -87.67 5.93 -8.8 -0.7 0
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336664 127255671 1 BrOH9C10 ABC9D10 -8.94 3.47 -8.88 -0.47 0
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336665 127255672 1 BrSH9C10 ABC9D10 23.04 3.24 -8.67 -0.58 0
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336667 127255674 1 ClFNOC7H9 ABCDE7F9 -102.86 4.7 -9.56 -0.34 0
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336668 127255675 1 BrNO5C8H18 ABC5D8E18 -250.75 2.96 -9.63 0.32 0
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336669 127255676 1 ClO7N8C25H41 AB7C8D25E41 -287.46 5.48 -9.59 -1.37 0
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336670 127255677 1 BFNO2H13C18 ABCD2E13F18 -119.6 5.19 -8.56 -0.64 0
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336671 127255678 1 OBr2H6C9 AB2C6D9 -9.81 1.58 -10.03 -1.18 0
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336672 127255679 1 OBr2H6C9 AB2C6D9 -7.8 5.01 -9.76 -1.08 0
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336673 127255680 1 ClIOH6C9 ABCD6E9 -4.65 1.52 -9.8 -1.37 0
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336674 127255681 1 ClIOH6C9 ABCD6E9 -8.05 2.5 -9.65 -1.27 0
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336675 127255682 1 ClIOH6C9 ABCD6E9 -5.93 2.8 -9.55 -1.18 0