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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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45846 10518184 1 SN2O2H14C16 AB2C2D14E16 23.94 6.78 -8.6 -0.98 0
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45847 10518185 1 SO3N4C12H18 AB3C4D12E18 -54.46 6.2 -8.73 0.14 0
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45848 10518192 2 NOC9H11 ABC9D11 -68.15 4.88 -8.65 -0.48 0
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45849 10518207 1 ON2C19H26 AB2C19D26 -19.69 1.74 -9.42 0.07 0
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45850 10518210 1 N2O2C17H34 A2B2C17D34 -126.94 2.54 -8.7 0.71 0
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45851 10518231 1 ClOS4C9H11 ABC4D9E11 -37.41 1.84 -8.98 -2.02 1
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45852 10518234 1 NO2C9H18 AB2C9D18 -61.36 2.39 0.0 0.0 0
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45853 10518246 1 N3O3C16H17 A3B3C16D17 -88.9 8.39 -8.57 -0.96 0
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45854 10518251 1 NO5C15H25 AB5C15D25 -250.13 6.59 -10.1 0.16 0
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45855 10518260 1 O2N3C17H21 A2B3C17D21 -67.6 3.58 -8.35 -0.42 0
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45856 10518261 1 O2N3C17H21 A2B3C17D21 -20.74 2.23 -8.32 0.06 0
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45857 10518263 1 NSO4C14H21 ABC4D14E21 -153.65 4.47 -9.54 0.02 0
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45858 10518284 1 IN2O2C8H17 AB2C2D8E17 -69.27 13.38 -7.82 -1.07 0
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45859 10518304 1 SO4H12C16 AB4C12D16 -116.35 4.38 -9.09 -1.2 0
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45860 10518308 2 O2C9H10 A2B9C10 -131.82 2.8 -8.75 -0.16 0
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45861 10518314 1 N2O3C17H20 A2B3C17D20 -91.67 1.94 -9.72 -0.07 0
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45862 10518319 1 SN2O4C13H20 AB2C4D13E20 -172.69 3.95 -9.31 -0.74 0
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45863 10518333 2 OC10H14 AB10C14 -114.48 1.58 -8.66 0.31 0
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45864 10518337 2 OC10H14 AB10C14 -83.66 3.4 -8.55 0.43 0
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45865 10518342 1 SiO4C15H28 AB4C15D28 -253.11 1.93 -9.07 1.06 0
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45866 10518345 2 NC10H16 AB10C16 -14.6 2.52 -8.68 0.49 0
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45867 10518352 1 ClFO2H10C17 ABC2D10E17 -53.31 5.76 -9.86 -1.03 0
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45868 10518353 1 ClN2O4C13H17 AB2C4D13E17 -149.7 5.63 -9.7 -0.38 0
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45869 10518387 1 NO6C14H23 AB6C14D23 -294.29 6.29 -9.99 0.1 0
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45870 10518415 1 NSO2C17H19 ABC2D17E19 -30.87 6.04 -9.23 -0.43 0
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45871 10518439 1 ClNOC18H20 ABCD18E20 -20.3 5.65 -9.41 -0.35 0
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45872 10518447 1 OSN2F3C13H13 ABC2D3E13F13 -143.11 4.34 -8.87 -0.63 0
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45873 10518483 1 O3C19H26 A3B19C26 -142.05 4.89 -8.99 -0.02 0
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45874 10518501 1 SiO3C16H34 AB3C16D34 -234.14 2.26 -9.18 1.22 0
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45875 10518503 1 ClO3H15C17 AB3C15D17 -98.25 4.31 -9.33 -0.5 0
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45876 10518517 1 PN5O5C9H14 AB5C5D9E14 -202.38 3.94 -9.25 -0.7 0
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45877 10518538 1 NO4C17H21 AB4C17D21 -148.99 5.67 -9.53 -0.52 0
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45878 10518551 1 NSO2C17H21 ABC2D17E21 -53.16 5.29 -9.28 -0.39 0
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45879 10518575 1 FNCl2O2H12C13 ABC2D2E12F13 -115.4 3.39 -9.12 -0.92 0
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45880 10518579 1 O2F5H9C14 A2B5C9D14 -280.62 2.46 -9.29 -1.36 0
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45881 10518606 1 O3N4C15H20 A3B4C15D20 12.22 4.55 -8.82 -1.77 0
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45882 10518613 1 PO4C15H29 AB4C15D29 -265.46 2.76 -9.78 0.5 0
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45883 10518616 2 O2C9H12 A2B9C12 -168.16 2.36 -8.96 -0.65 0
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45884 10518664 1 NSO5H11C14 ABC5D11E14 -141.1 2.48 -9.01 -0.91 0
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45885 10518679 1 NO4C17H23 AB4C17D23 -186.72 5.0 -9.57 0.0 0
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45886 10518715 2 O3C8H9 A3B8C9 -192.34 3.31 -10.2 -0.82 0
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45887 10518720 2 N2O2C7H9 A2B2C7D9 14.09 9.21 -9.65 -1.75 0
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45888 10518741 1 N2O3C17H22 A2B3C17D22 -82.84 3.23 -8.68 -0.06 0
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45889 10518742 2 O2C9H13 A2B9C13 -167.1 2.18 -9.0 1.05 0
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45890 10518756 1 SN2O2C16H22 AB2C2D16E22 -80.96 4.8 -8.41 0.02 0
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45891 10518772 1 ClOC19H27 ABC19D27 -40.8 4.95 -8.76 -0.54 0
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45892 10518773 1 BrNOCl2H6C10 ABCD2E6F10 -3.85 1.47 -9.3 -1.4 0
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45893 10518777 1 BrO5C11H15 AB5C11D15 -184.42 2.77 -10.15 -0.61 0
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45894 10518786 1 NO3F4C13H13 AB3C4D13E13 -327.42 1.72 -10.02 -1.33 0
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45895 10518788 1 BrC17H23 AB17C23 -21.81 3.16 -9.12 0.16 0