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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179835 76539625 1 O3C19H24 A3B19C24 -136.23 5.58 -10.06 -0.9 0
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179836 76539626 1 O3C19H26 A3B19C26 -160.09 6.98 -9.98 0.36 0
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179837 76539708 1 SBr2H6C10 AB2C6D10 60.66 2.45 -9.1 -0.66 0
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179838 76540621 1 PtH14C15 AB14C15 124.82 2.43 -9.36 -1.38 0
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179839 76540686 1 FS2N3O3C25H28 AB2C3D3E25F28 -71.76 7.58 -8.14 -1.3 -2
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179840 76540687 1 FS2N3O3C25H26 AB2C3D3E25F26 -76.99 6.73 -8.83 -0.84 0
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179841 76540927 1 BrON7H14C18 ABC7D14E18 127.56 5.04 -9.36 -2.52 1
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179842 76541118 1 ClNO4H17C22 ABC4D17E22 -83.04 4.49 0.0 0.0 0
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179843 76541119 1 ClNSC5H8 ABCD5E8 -14.81 4.03 -9.84 -0.81 0
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179844 76541210 1 ClSN2O8C37H47 ABC2D8E37F47 -309.49 5.65 -8.99 -0.4 0
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179845 76541211 1 ClS2N3O8C42H59 AB2C3D8E42F59 -315.29 4.42 0.0 0.0 0
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179846 76541212 1 ClSN3O8C42H58 ABC3D8E42F58 -319.66 2.63 -8.94 -0.35 0
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179847 76541352 2 O4C12H23 A4B12C23 -435.46 6.47 -9.67 -0.14 0
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179848 76541937 1 P2S2O5C15H28 A2B2C5D15E28 -380.47 3.91 -8.93 -0.54 -1
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179849 76542297 1 Cl2N2O3C17H23 A2B2C3D17E23 -112.64 5.12 0.0 0.0 0
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179850 76542298 1 Cl2N2O3C17H24 A2B2C3D17E24 -141.74 8.71 -9.34 -0.51 -1
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179851 76542299 1 FN4O5C22H30 AB4C5D22E30 -190.83 11.01 0.0 0.0 0
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179852 76543100 2 FOC19H24 ABC19D24 -149.69 1.2 -8.2 -0.66 0
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179853 76543260 1 Cl2F3N3O5C26H28 A2B3C3D5E26F28 -287.87 2.04 -8.35 -1.45 0
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179854 76543377 1 NO4F6H21C22 AB4C6D21E22 -444.09 1.43 -9.45 -1.64 0
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179855 76543810 1 N2O5C12H18 A2B5C12D18 -196.81 3.82 -9.22 -1.13 0
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179856 76543876 1 O3N9H11C14 A3B9C11D14 108.89 6.25 -9.53 -1.97 1
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179857 76544577 1 O2N6C17H29 A2B6C17D29 -48.44 4.02 0.0 0.0 0
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179858 76544876 1 NSC13H15 ABC13D15 56.46 5.21 -8.9 -0.25 -1
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179859 76545104 1 ZnO2C5H7 AB2C5D7 -29.54 1.88 0.0 0.0 0