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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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32712 7847262 1 ClNO5C21H22 ABC5D21E22 -175.06 8.52 -8.9 -0.91 0
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32713 7847270 1 ClFNO4H15C17 ABCD4E15F17 -170.52 2.58 -9.04 -0.42 0
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32714 7847273 1 ClNO4H20C23 ABC4D20E23 -98.14 6.36 -9.03 -0.37 0
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32715 7847296 1 ClNO4H18C19 ABC4D18E19 -120.41 5.06 -8.79 -0.36 0
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32716 7847297 1 ClNO4H18C19 ABC4D18E19 -120.06 3.38 -8.65 -0.4 0
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32717 7847312 1 ClNO4C21H22 ABC4D21E22 -137.62 3.39 -9.22 -0.38 0
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32718 7847315 1 ClN2O6C17H19 AB2C6D17E19 -239.49 3.3 -9.23 -0.75 0
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32719 7847322 1 ClNO4C18H18 ABC4D18E18 -133.48 4.67 -8.78 -0.69 0
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32720 7847327 1 BrClNO4H15C17 ABCD4E15F17 -120.63 3.45 -9.08 -0.43 0
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32721 7847329 1 ClNF2O4H12C16 ABC2D4E12F16 -204.66 4.97 -9.32 -0.71 0
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32722 7847350 1 ClNO4C17H22 ABC4D17E22 -170.05 0.84 -9.31 -0.41 0
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32723 7847351 1 ClNF3O4H13C17 ABC3D4E13F17 -275.86 3.16 -9.11 -0.9 1
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32724 7847367 1 NC10H14 AB10C14 53.1 5.43 0.0 0.0 1
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32725 7847372 1 FNO2C15H17 ABC2D15E17 -74.5 7.03 0.0 0.0 1
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32726 7847378 1 ClNC13H19 ABC13D19 9.06 6.9 0.0 0.0 0
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32727 7847397 1 NS2O3C22H29 AB2C3D22E29 -117.55 5.17 -8.44 0.07 0
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32728 7847418 1 N2S2O3C18H22 A2B2C3D18E22 -94.55 4.05 -8.88 -0.83 0
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32729 7847425 1 NSO2C20H25 ABC2D20E25 -62.53 5.39 -8.4 -0.38 0
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32730 7847432 1 N2S2O3C19H24 A2B2C3D19E24 -101.61 10.25 -9.35 -0.79 0
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32731 7847444 1 SN2O4C17H18 AB2C4D17E18 -138.57 8.39 -9.12 -1.25 0
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32732 7847455 1 NSCl2O3H15C16 ABC2D3E15F16 -113.69 6.35 -8.95 -1.2 0
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32733 7847498 1 SN2O4C19H22 AB2C4D19E22 -137.25 4.9 -9.0 -1.19 0
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32734 7847500 1 SN2O4C21H26 AB2C4D21E26 -156.74 6.51 -8.94 -0.96 0
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32735 7847544 1 BrN2O3C19H21 AB2C3D19E21 -81.1 5.49 -8.82 -0.06 0
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32736 7847547 1 SN2O6C17H24 AB2C6D17E24 -239.76 7.27 -9.87 -0.66 0