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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167606 74846898 1 ClO3N4C25H25 AB3C4D25E25 -51.49 4.97 -8.94 -1.21 0
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167607 74846899 1 ClO3N4H23C28 AB3C4D23E28 -9.18 8.35 -8.99 -1.57 0
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167608 74846900 1 Cl2O3N4H24C25 A2B3C4D24E25 -54.44 7.95 -8.96 -1.05 0
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167609 74846901 1 F3N4O4H19C23 A3B4C4D19E23 -216.06 7.87 -8.93 -1.17 0
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167610 74846902 1 F3O3N4H19C23 A3B3C4D19E23 -186.41 5.24 -8.91 -1.05 0
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167611 74846903 1 O3F4N4H22C29 A3B4C4D22E29 -210.01 8.31 -9.08 -1.1 0
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167612 74847084 1 ClO3N4H21C27 AB3C4D21E27 0.93 6.35 -8.77 -0.88 0
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167613 74847368 1 SN2O3C28H28 AB2C3D28E28 -53.12 7.84 -9.18 -0.7 0
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167614 74847649 2 ON2C9H11 AB2C9D11 -29.15 2.21 -8.76 -0.63 0
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167615 74847917 1 N5O5C28H39 A5B5C28D39 -141.53 4.92 -8.35 0.04 0
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167616 74848213 1 SCl2O3N6C27H36 AB2C3D6E27F36 -78.47 3.07 -8.89 -1.15 0
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167617 74848410 1 FO2N3H24C31 AB2C3D24E31 1.85 5.19 -8.38 -0.76 0
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167618 74848498 1 N3O4C24H27 A3B4C24D27 -139.1 2.19 -8.38 -0.21 1
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167619 74848499 1 N3O4H22C24 A3B4C22D24 -80.04 5.24 0.0 0.0 1
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167620 74848570 1 ClN3O3C16H21 AB3C3D16E21 -127.21 2.89 0.0 0.0 1
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167621 74848571 1 ClN3O3C20H21 AB3C3D20E21 -97.88 3.44 0.0 0.0 0
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167622 74848877 1 FSO2N4H25C27 ABC2D4E25F27 -6.99 8.98 -8.73 -0.78 0
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167623 74848906 1 FSO2N4H27C28 ABC2D4E27F28 -22.41 7.01 -8.74 -0.95 0
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167624 74848973 1 O4N6C25H34 A4B6C25D34 -108.63 4.14 -8.59 -0.89 0
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167625 74849228 1 NO2C16H17 AB2C16D17 -6.01 3.07 -8.8 -0.08 0
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167626 74849259 1 ClO2N3H10C15 AB2C3D10E15 4.56 2.19 -9.28 -1.1 0
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167627 74849260 1 BrFNO2H13C15 ABCD2E13F15 -41.56 2.07 -9.13 -0.61 0
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167628 74849694 1 N5O5C23H27 A5B5C23D27 -58.93 6.16 -8.86 -1.72 0
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167629 74849706 1 ClFON5H27C32 ABCD5E27F32 73.68 4.19 -9.06 -1.47 0
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167630 74850401 1 BrO3N5H20C21 AB3C5D20E21 9.88 2.7 -9.15 -1.48 0