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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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65401 29214860 1 OS2N3C15H23 AB2C3D15E23 -16.35 9.76 -8.31 -1.07 0
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65402 29214861 1 ClSO2N9C21H28 ABC2D9E21F28 45.21 7.92 -8.52 -0.68 0
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65403 29214862 1 OS2N3C14H21 AB2C3D14E21 -1.69 6.43 -8.39 -0.88 0
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65404 29214864 1 SN4O4C20H32 AB4C4D20E32 -144.91 6.53 -8.34 -0.61 0
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65405 29214865 1 OSF3N9C21H26 ABC3D9E21F26 -67.75 5.77 -9.34 -0.76 0
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65406 29214867 1 FOSN9C20H26 ABCD9E20F26 51.32 6.17 -8.72 -0.46 0
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65407 29214868 1 SO3N4C19H26 AB3C4D19E26 -36.18 5.69 -8.42 -0.59 0
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65408 29214869 2 NO2C11H13 AB2C11D13 -119.41 4.65 -8.98 -0.53 0
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65409 29214870 1 OSN9C22H29 ABC9D22E29 96.99 4.73 -8.47 -0.06 0
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65410 29214877 1 SN3O3C17H27 AB3C3D17E27 -93.26 4.69 -8.25 -0.17 0
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65411 29214878 1 SO2F3N10C15H21 AB2C3D10E15F21 -91.27 10.75 -8.84 -0.7 1
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65412 29214880 1 OSN4C23H27 ABC4D23E27 49.67 7.65 0.0 0.0 0
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65413 29214881 1 OSN4C23H26 ABC4D23E26 37.89 5.23 -8.18 -0.75 0
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65414 29214882 1 OSF3N10C15H19 ABC3D10E15F19 -9.78 5.97 -9.13 -1.46 0
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65415 29214885 1 OSN10C18H28 ABC10D18E28 111.49 3.96 -8.85 -0.83 0
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65416 29214886 1 SN5C12H15 AB5C12D15 100.14 7.43 -8.99 -0.87 0
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65417 29214888 1 SO2N3C16H25 AB2C3D16E25 -51.34 3.26 -8.49 -0.3 0
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65418 29214898 1 SN8C15H26 AB8C15D26 99.06 6.18 -8.24 -0.06 0
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65419 29214901 1 SN8C15H26 AB8C15D26 98.42 6.66 -8.38 -0.01 0
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65420 29214906 1 ClOSN7H18C21 ABCD7E18F21 127.72 10.53 -8.9 -1.16 0
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65421 29214915 1 OSN7C19H23 ABC7D19E23 98.58 9.75 -8.72 -1.08 0
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65422 29214923 1 OSN7C19H23 ABC7D19E23 85.22 9.54 -8.97 -1.15 0
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65423 29214924 1 OS2N7C17H25 AB2C7D17E25 63.96 8.77 -8.36 -1.04 0
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65424 29214928 2 SN2O2C11H13 AB2C2D11E13 -78.1 5.57 -8.6 -1.07 0
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65425 29214932 1 O4N5C25H31 A4B5C25D31 -103.82 5.03 -8.67 -0.42 0
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65426 29214933 1 SN7H17C19 AB7C17D19 186.41 7.22 -8.65 -1.1 0
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65427 29214934 1 SO3N4C19H28 AB3C4D19E28 -93.41 2.82 -8.52 -0.43 0
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65428 29214938 1 ClOSN7H20C22 ABCD7E20F22 125.87 8.01 -8.7 -1.08 0
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65429 29214941 1 SO3N7C24H25 AB3C7D24E25 50.19 8.17 -8.74 -0.99 0
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65430 29214944 1 SN3O3C18H27 AB3C3D18E27 -91.86 5.27 -8.6 -0.29 0
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65431 29214955 2 NO2C11H16 AB2C11D16 -125.76 3.39 -8.51 0.22 0
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65432 29214960 1 SO3N7H19C22 AB3C7D19E22 70.64 7.89 -8.28 -1.12 1
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65433 29214965 1 F3N3O3C18H25 A3B3C3D18E25 -257.06 13.49 0.0 0.0 0
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65434 29214970 3 FNOC6H8 ABCD6E8 -279.42 3.67 -8.78 -0.47 0
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65435 29214971 1 SO2N7H23C27 AB2C7D23E27 129.21 8.82 -8.95 -0.72 0
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65436 29214972 1 SO2N4C19H30 AB2C4D19E30 -71.31 6.06 -8.52 -0.52 0
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65437 29214974 1 SO2N7C23H23 AB2C7D23E23 90.85 5.94 -8.86 -0.82 0
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65438 29214976 1 SO3N5C15H25 AB3C5D15E25 -121.0 4.76 -8.65 -0.37 0
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65439 29214977 1 SO4N7C24H25 AB4C7D24E25 22.73 8.01 -8.35 -1.08 1
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65440 29214984 1 OSN3C22H34 ABC3D22E34 -15.83 5.42 0.0 0.0 0
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65441 29214985 1 FOSN7H20C22 ABCD7E20F22 82.02 6.57 -8.61 -1.12 0
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65442 29214989 1 S2O3N4C19H30 A2B3C4D19E30 -78.01 9.96 -8.88 -0.5 1
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65443 29214990 1 ON2C22H31 AB2C22D31 -0.99 4.77 0.0 0.0 0
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65444 29214993 1 FS2O3N4C17H27 AB2C3D4E17F27 -141.47 12.06 -8.27 -1.34 0
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65445 38671648 1 BrN3O4H14C18 AB3C4D14E18 -94.96 4.3 -9.09 -1.01 0
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65446 38671657 1 BrSN3O3H12C15 ABC3D3E12F15 -48.8 3.78 -9.1 -1.03 0
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65447 38671672 1 N4O6H16C19 A4B6C16D19 -141.48 7.92 -8.97 -1.28 0
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65448 38671673 1 BrSN3O3H16C17 ABC3D3E16F17 -57.84 2.86 -9.18 -1.11 0
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65449 38671676 1 O3N4C23H26 A3B4C23D26 -66.16 3.17 -8.62 -0.97 0
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65450 38671677 1 BrSN3O3H18C22 ABC3D3E18F22 -29.62 1.52 -9.09 -1.1 0