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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149931 53789613 1 N2O3C6H8 A2B3C6D8 -115.87 5.78 -8.54 -0.22 0
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149932 53789614 1 NO2C17H33 AB2C17D33 -157.33 2.63 -9.49 1.02 0
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149933 53789615 1 N5O7C22H33 A5B7C22D33 -304.74 10.69 -9.9 -0.17 0
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149934 53789616 1 BrON4H11C16 ABC4D11E16 72.22 5.83 -8.84 -1.01 0
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149935 53789617 1 O2N3C13H19 A2B3C13D19 -47.23 4.41 -9.29 -0.1 0
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149936 53789618 1 SO2C8H16 AB2C8D16 -115.69 5.6 -10.26 0.96 0
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149937 53789619 1 C31H52 A31B52 -86.94 0.14 -8.82 0.55 0
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149938 53789620 1 NO3C21H23 AB3C21D23 -81.1 2.85 -8.74 -0.52 0
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149939 53789621 2 NOC8H11 ABC8D11 -71.66 3.64 -8.71 0.17 0
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149940 53789622 1 ClO5C6H13 AB5C6D13 -261.55 3.77 -10.5 0.22 0
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149941 53789623 1 N2P2O6C15H28 A2B2C6D15E28 -390.38 4.28 -8.66 -0.3 0
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149942 53789624 1 O3C22H34 A3B22C34 -150.92 0.92 -8.44 -0.22 0
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149943 53789625 1 PN2O7C11H15 AB2C7D11E15 -280.5 3.86 -10.21 -1.42 0
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149944 53789626 2 OC6H13 AB6C13 -130.72 1.19 -9.43 1.94 0
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149945 53789627 1 NSO3H19C20 ABC3D19E20 -60.18 5.25 -8.33 -1.56 0
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149946 53789628 1 SN4O7C19H28 AB4C7D19E28 -236.49 7.29 -8.66 -0.02 0
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149947 53789629 1 O2N4C29H34 A2B4C29D34 17.04 5.24 -8.61 -0.13 0
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149948 53789630 2 NH12C15 AB12C15 127.31 1.38 -7.57 -1.01 0
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149949 53789631 1 O2N4C21H28 A2B4C21D28 -24.0 4.94 -8.16 0.06 0
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149950 53789632 1 O5H10C12 A5B10C12 -172.11 5.41 -11.28 -2.19 0
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149951 53789633 1 BrN2O2H9C10 AB2C2D9E10 -25.39 2.57 -9.6 -1.72 0
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149952 53789634 1 N2O5C17H20 A2B5C17D20 -109.13 6.62 -7.66 -1.24 0
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149953 53789635 1 SF3H11C16 AB3C11D16 -59.05 3.02 -8.85 -1.47 0
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149954 53789636 2 OC6H8 AB6C8 -51.23 2.64 -8.36 0.32 0
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149955 53789637 1 SBr2N2O3C13H18 AB2C2D3E13F18 -120.15 5.24 -8.6 -1.11 0
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149956 53789638 1 N3O4C20H23 A3B4C20D23 -115.87 5.74 -7.97 -0.65 0
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149957 53789640 2 NOC5H7 ABC5D7 -72.62 6.63 -9.78 0.17 0
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149958 53789641 2 ON4C19H30 AB4C19D30 75.44 7.23 -6.97 -0.15 0
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149959 53789642 2 NC6H9 AB6C9 14.49 2.65 -8.59 -0.05 0
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149960 53789643 1 ON3C13H21 AB3C13D21 8.57 2.13 -8.82 -0.01 0
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149961 53789644 1 ON3C13H21 AB3C13D21 8.0 1.92 -8.77 -0.02 0
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149962 53789645 1 O2F3N5C10H10 A2B3C5D10E10 -94.73 3.0 -10.03 -1.59 0
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149963 53789646 1 NO4C17H21 AB4C17D21 -149.88 2.88 -8.57 -1.34 0
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149964 53789647 2 NSH5O5C10 ABC5D5E10 -151.6 10.15 -10.7 -2.64 0
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149965 53789648 1 O3S3N8H10C17 A3B3C8D10E17 241.05 4.15 -9.64 -2.71 0
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149966 53789649 1 OF2N6C14H16 AB2C6D14E16 -18.94 7.18 -9.9 -0.72 0
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149967 53789650 1 O6C13H22 A6B13C22 -310.16 6.52 -11.05 -0.19 0
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149968 53789651 2 NOC11H12 ABC11D12 -14.53 1.52 -8.34 -1.2 0
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149969 53789652 1 BrO5C28H31 AB5C28D31 -182.3 3.87 -8.44 -0.95 0
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149970 53789653 1 SO3C20H34 AB3C20D34 -181.38 6.03 -8.5 0.53 0
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149971 53789654 1 SN2F4O5H22C27 AB2C4D5E22F27 -307.38 2.62 -8.68 -1.35 0
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149972 53789655 1 SN2F4O5H22C27 AB2C4D5E22F27 -308.45 2.56 -8.61 -1.37 0
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149973 53789656 1 ClNF2O3H16C19 ABC2D3E16F19 -163.21 4.09 -9.58 -0.92 0
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149974 53789657 2 OH8C9 AB8C9 -28.87 0.87 -8.32 -0.37 0
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149975 53789658 1 N5O6C26H33 A5B6C26D33 -194.23 4.12 -8.65 -1.36 0
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149976 53789659 1 SCl2N2F3O3H19C24 AB2C2D3E3F19G24 -190.63 6.91 -8.89 -1.52 1
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149977 53789660 1 N3O4C19H22 A3B4C19D22 -89.07 3.23 0.0 0.0 0
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149978 53789661 1 O2N3F5H12C20 A2B3C5D12E20 -257.2 4.98 -9.58 -1.24 0
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149979 53789662 1 FN2C14H21 AB2C14D21 -43.88 1.0 -9.1 -0.06 0
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149980 53789663 1 NF3O3C20H24 AB3C3D20E24 -250.2 6.63 -8.39 -0.52 0