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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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126936 50984668 1 ON5C20H27 AB5C20D27 -8.99 4.77 -8.93 -0.15 0
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126937 50984669 1 FON6C18H19 ABC6D18E19 24.18 4.67 -8.95 -0.75 0
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126938 50984670 1 ON3C17H25 AB3C17D25 -27.48 2.26 -8.9 -0.63 0
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126939 50984678 1 O2N4C21H24 A2B4C21D24 -26.19 5.6 -8.65 -0.56 0
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126940 50984679 1 OSN5C20H21 ABC5D20E21 52.32 6.85 -8.72 -0.45 0
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126941 50984680 1 NO2C21H25 AB2C21D25 -54.1 3.05 -9.03 -0.6 0
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126942 50984681 1 N3O4C17H23 A3B4C17D23 -143.07 6.24 -9.31 -1.29 0
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126943 50984732 1 O2N5C22H25 A2B5C22D25 -28.96 6.76 -8.7 -0.39 0
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126944 50984752 1 ClO2N4C18H21 AB2C4D18E21 -35.05 3.02 -9.13 -0.33 0
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126945 50984782 1 N2O3C20H24 A2B3C20D24 -110.27 2.52 -8.77 -0.02 0
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126946 50984810 1 O2N3H19C22 A2B3C19D22 34.83 3.88 -8.79 -0.6 0
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126947 50985045 1 O2N4C19H20 A2B4C19D20 -10.67 1.64 -8.79 -0.46 0
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126948 50985078 1 N3C12H23 A3B12C23 -1.87 2.63 -8.64 0.87 0
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126949 50985091 1 SO2N3C14H17 AB2C3D14E17 -55.74 5.17 -8.74 -0.96 0
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126950 50985227 1 SN3O3C17H27 AB3C3D17E27 -130.0 1.68 -8.84 0.11 0
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126951 50985228 1 N3C13H19 A3B13C19 58.69 6.83 -9.61 0.39 0
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126952 50985229 1 O2N3C19H19 A2B3C19D19 -19.38 9.57 -8.69 -0.65 0
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126953 50985230 1 ON3H19C21 AB3C19D21 70.23 4.74 -8.63 -0.52 0
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126954 50985231 1 O2N3C20H29 A2B3C20D29 -80.17 4.65 -8.87 -0.36 0
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126955 50985292 1 O2N3C23H25 A2B3C23D25 -10.31 8.32 -8.71 -0.11 0
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126956 50985293 1 N3O3C19H23 A3B3C19D23 -69.02 4.36 -8.86 -0.9 0
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126957 50985403 1 N3O3C18H23 A3B3C18D23 -115.5 4.39 -9.14 -0.46 0
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126958 50985450 2 NO2C11H12 AB2C11D12 -92.04 2.87 -8.62 -0.43 0
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126959 50985529 1 FN2O2C18H23 AB2C2D18E23 -138.22 5.68 -9.41 0.01 0
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126960 50985530 1 ON4H18C23 AB4C18D23 122.82 6.32 -8.64 -0.83 0
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126961 50985641 1 SN5C17H29 AB5C17D29 41.65 5.61 -8.69 0.04 0
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126962 50985685 1 BrClN3O4H21C24 ABC3D4E21F24 -103.33 3.92 -8.96 -0.65 0
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126963 50985791 1 NO2S2C20H27 AB2C2D20E27 -84.26 4.83 -8.74 0.08 0
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126964 50985802 1 NOS2C20H27 ABC2D20E27 -55.13 5.05 -8.57 -0.14 0
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126965 50985818 1 ON4H20C24 AB4C20D24 110.39 3.12 -8.29 -0.22 0
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126966 50985865 4 NOC6H7 ABC6D7 -110.57 4.81 -9.34 -0.44 0
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126967 50985866 1 O3N4C27H28 A3B4C27D28 -54.82 9.55 -9.07 -0.66 0
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126968 50985867 1 O3N4C23H26 A3B4C23D26 -77.93 7.84 -9.41 -0.52 0
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126969 50985871 1 SN3O6C26H33 AB3C6D26E33 -215.45 4.45 -8.96 -0.28 0
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126970 50985872 1 ClN3O4C25H28 AB3C4D25E28 -138.11 5.59 -8.87 -0.67 -4
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126971 50986093 1 SP3N7O19C48H74 AB3C7D19E48F74 -962.3 1.35 -9.46 -1.33 0
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126972 50986175 1 O7H16C19 A7B16C19 -234.34 1.66 -9.81 -1.91 -4
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126973 50986176 1 SP3N7O17C28H40 AB3C7D17E28F40 -741.21 19.34 -9.03 -1.99 0
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126974 50986294 1 NOS2H9C10 ABC2D9E10 13.23 4.55 -9.05 -1.1 0
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126975 50986416 2 NOC5H9 ABC5D9 -76.58 2.79 -9.54 0.88 0
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126976 50986417 1 NF3O3C12H18 AB3C3D12E18 -313.95 2.99 -9.89 0.64 0
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126977 50986418 1 N2O2C11H20 A2B2C11D20 -99.67 3.36 -9.05 0.92 0
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126978 50986481 1 N3O3C16H29 A3B3C16D29 -178.51 2.88 -8.87 0.71 0
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126979 50986499 1 N3O3C13H25 A3B3C13D25 -174.58 3.84 -9.54 0.79 0
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126980 50986500 1 N3O3C12H23 A3B3C12D23 -161.7 4.74 -9.24 0.76 0
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126981 50986501 1 NF3O4C11H18 AB3C4D11E18 -380.09 6.08 -10.31 0.21 0
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126982 50986507 1 NOF2C10H13 ABC2D10E13 -139.02 4.17 -9.28 -0.06 0
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126983 50986560 1 O5C41H68 A5B41C68 -175.37 3.83 -8.78 -0.76 0
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126984 50986561 1 OC27H46 AB27C46 -127.2 2.42 -9.15 1.41 0
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126985 50986565 2 ClOC17H24 ABC17D24 -149.21 3.43 -9.3 -1.06 0
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126986 50986568 1 O2F3N3C10H14 A2B3C3D10E14 -218.09 3.51 -9.61 -0.52 0
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126987 50986650 1 ClSN2C20H33 ABC2D20E33 53.68 42.35 -5.83 -3.56 0
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126998 50986789 1 ClNO4C18H26 ABC4D18E26 -224.41 5.16 -9.01 -0.55 0
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126999 50986790 1 ClNO2C18H28 ABC2D18E28 -68.27 7.1 -8.95 -1.23 0
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127013 50987307 1 SN4O4H14C17 AB4C4D14E17 4.27 7.82 -8.78 -1.72 0
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127014 50987308 1 SN4O4H16C18 AB4C4D16E18 4.98 5.02 -8.54 -1.53 0
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127015 50987309 1 SN4O4H12C16 AB4C4D12E16 12.0 8.44 -8.76 -1.48 0
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127016 50987319 1 ON2H18C19 AB2C18D19 77.76 6.49 -8.44 -0.57 0
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127017 50987403 2 N2C5H12 A2B5C12 -8.88 2.23 -8.69 2.31 0
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127018 50987404 1 N8O11C40H50 A8B11C40D50 -445.99 3.58 -8.77 -0.38 0
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127019 50987434 1 O5C32H32 A5B32C32 -157.07 4.55 -8.73 -0.86 0
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127020 50987445 1 FO2C27H45 AB2C27D45 -179.61 1.06 -9.1 1.35 0
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127021 50987658 1 SO6C39H68 AB6C39D68 -365.94 3.27 -9.03 -0.15 0
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127022 50987726 2 ClO2N3H17C22 AB2C3D17E22 19.36 7.15 -7.87 -1.76 0
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127023 50987807 1 INOC26H28 ABCD26E28 48.02 3.13 -8.74 -0.73 0
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127024 50987808 1 NOC26H27 ABC26D27 60.59 1.21 -8.49 0.08 0
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127025 50987809 2 O2C5H8 A2B5C8 -188.31 1.71 -10.32 -0.03 0
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127026 50987875 2 O3C10H15 A3B10C15 -270.29 5.73 -9.72 -0.84 0
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127027 50988044 1 NCl4C8H9 AB4C8D9 -39.97 2.52 -9.47 -0.77 0
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127028 50988070 1 NCl2C10H13 AB2C10D13 -5.74 2.71 -9.28 -0.52 0
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127029 50988089 1 ClSN4C10H19 ABC4D10E19 -10.5 5.06 -8.36 0.14 0
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127030 50988090 1 SN4C10H18 AB4C10D18 23.07 3.74 -8.44 0.06 0
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127031 50988091 1 ClSN4C7H15 ABC4D7E15 -9.64 6.31 -8.73 -0.22 0
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127032 50988099 1 OCl2N3C9H15 AB2C3D9E15 -76.28 4.24 -9.12 -0.32 0
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127034 50988101 1 NCl2C7H9 AB2C7D9 -23.76 3.51 -10.34 -0.54 0
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127035 50988145 1 NSC11H11 ABC11D11 38.95 0.69 -8.48 -0.18 0
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127037 50988324 1 Cl2O2N3C10H13 A2B2C3D10E13 -83.94 3.73 -8.83 -0.77 0
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127038 50988325 1 O2N3C10H11 A2B3C10D11 -4.74 3.45 -8.3 -0.53 0
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127039 50988328 1 Cl2N4C13H22 A2B4C13D22 -18.99 4.56 -9.15 -0.81 0
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127040 50988329 2 ClNC2H7 ABC2D7 -89.5 5.81 -9.95 1.68 0
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127041 50988384 1 Cl2O2N3C14H23 A2B2C3D14E23 -131.45 7.62 -9.1 -0.44 0
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127042 50988385 1 OCl2N2C8H20 AB2C2D8E20 -118.19 3.21 -9.17 1.65 0
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127043 50988386 1 FOCl2N2C11H19 ABC2D2E11F19 -141.82 2.66 -8.5 -0.01 0
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127044 50988387 1 FON2C11H17 ABC2D11E17 -66.23 4.6 -8.36 0.09 0
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127045 50988421 1 Cl2C3N5H9 A2B3C5D9 1.83 3.52 -9.69 -0.93 0
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127046 50988422 1 SCl2N3C11H15 AB2C3D11E15 -12.74 8.46 -9.61 -1.32 0
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127047 50988423 1 SN3C11H13 AB3C11D13 59.5 2.76 -9.42 -0.98 0
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127048 50988424 1 SCl2N3C12H17 AB2C3D12E17 -18.24 4.78 -9.46 -1.25 0
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127049 50988448 1 ClON2C13H15 ABC2D13E15 -37.35 3.24 -8.97 -0.5 0
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127050 50988449 1 OCl2N2H4C6 AB2C2D4E6 -1.61 2.69 -10.4 -1.47 0
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127051 50988450 1 N2Cl3O3H15C19 A2B3C3D15E19 -70.96 6.87 -8.87 -1.44 0
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127052 50988499 1 ClN2O2C12H17 AB2C2D12E17 -100.52 6.77 -9.41 -0.41 0
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127053 50988565 1 ClNO3C11H16 ABC3D11E16 -159.75 3.26 -8.75 -0.72 0
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127054 50988708 1 NOSCl2C15H17 ABCD2E15F17 -34.99 1.9 -8.89 -0.58 0
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127055 50988716 1 ClSN4C6H11 ABC4D6E11 30.19 6.2 -8.82 -0.36 0
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127056 50988766 1 ClNO2C14H24 ABC2D14E24 -124.2 2.35 -8.76 -0.06 0
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127057 50989118 1 NSO3C10H13 ABC3D10E13 -114.25 3.83 -8.2 -0.25 0
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127058 50989119 1 SN2O2C8H8 AB2C2D8E8 -30.94 6.66 -9.01 -1.43 0
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127059 50989120 1 O2N3C14H15 A2B3C14D15 -27.2 4.94 -8.52 -0.47 0
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127060 50989121 1 O2N3C14H15 A2B3C14D15 -26.48 3.27 -8.58 -0.59 0