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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195695 78724281 1 Cl2N3O4C15H17 A2B3C4D15E17 -166.59 3.78 -9.55 -0.75 0
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195696 78724282 1 O2N3S3C17H19 A2B3C3D17E19 -10.39 1.45 -8.68 -1.1 0
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195697 78724283 1 SO2N3C17H25 AB2C3D17E25 -4.99 10.08 -8.48 -1.2 1
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195698 78724284 1 N2O3C21H33 A2B3C21D33 -133.69 4.31 0.0 0.0 0
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195699 78724285 1 ClSN4O4H15C16 ABC4D4E15F16 40.21 6.43 -8.88 -1.64 1
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195700 78724286 1 SO2N4C15H25 AB2C4D15E25 39.33 5.71 0.0 0.0 0
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195701 78724652 1 FOSN2C18H21 ABCD2E18F21 -44.57 6.66 -8.44 -0.28 0
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195702 78724731 1 N2O4C23H28 A2B4C23D28 -146.53 4.36 -9.09 -0.73 0
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195703 78724870 1 ClN2O4C22H25 AB2C4D22E25 -161.27 3.09 -9.08 -0.41 0
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195704 78724904 1 SO2N3C14H19 AB2C3D14E19 -63.0 7.57 -8.57 -0.49 0
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195705 78725681 1 ClNO4H12C15 ABC4D12E15 -73.97 5.18 -9.7 -1.42 0
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195706 78726227 1 N3O6C18H25 A3B6C18D25 -247.8 4.12 -8.65 0.08 0
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195707 78726228 1 SN2O4C13H14 AB2C4D13E14 -111.01 3.52 -9.44 -1.38 0
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195708 78726229 1 SN2O4C18H22 AB2C4D18E22 -138.76 3.38 -9.25 -1.35 0
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195709 78726440 1 ClN2O6H17C18 AB2C6D17E18 -108.72 5.15 -10.05 -2.21 0
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195710 78726467 1 SO3N5C20H21 AB3C5D20E21 -6.61 4.36 -8.96 -0.73 0
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195711 78726468 1 NSO5C22H27 ABC5D22E27 -191.29 5.43 -9.67 -1.2 0
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195712 78726469 1 N2O5C23H24 A2B5C23D24 -133.41 3.97 -8.41 -0.99 0
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195713 78726470 1 N3O5H21C22 A3B5C21D22 -115.66 1.47 -8.81 -1.6 0
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195714 78726471 1 OSN4H18C19 ABC4D18E19 76.27 8.08 -8.9 -0.75 0
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195715 78726928 1 FNO3H16C18 ABC3D16E18 -133.21 3.08 -9.79 -0.85 0
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195716 78727124 1 N4O4C21H30 A4B4C21D30 -178.46 3.94 -9.63 -0.21 0
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195717 78727190 1 N2O4C25H30 A2B4C25D30 -148.84 2.91 -9.31 -0.29 0
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195718 78727277 1 FN2O4C17H21 AB2C4D17E21 -213.47 8.39 -9.05 -0.28 0
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195719 78727959 2 NO3C10H10 AB3C10D10 -193.32 4.46 -9.47 -1.01 0