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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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65351 29214768 1 N3O4H19C20 A3B4C19D20 -65.39 7.02 -9.42 -0.68 0
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65352 29214776 1 ON4C22H42 AB4C22D42 -93.05 4.02 -8.76 1.38 0
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65353 29214780 1 OS2N5C14H23 AB2C5D14E23 -8.27 0.52 -8.66 -0.52 0
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65354 29214781 1 SO2N11C19H29 AB2C11D19E29 78.83 11.67 -9.16 -0.82 0
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65355 29214783 1 OSN10C16H24 ABC10D16E24 125.19 8.57 -9.01 -1.0 0
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65356 29214784 1 ClS2O3N4C21H27 AB2C3D4E21F27 -63.45 10.28 -8.22 -1.51 0
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65357 29214785 1 OSN10C17H26 ABC10D17E26 120.75 7.16 -8.87 -1.03 0
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65358 29214787 1 O2N5C21H33 A2B5C21D33 -26.5 1.55 -8.46 0.16 0
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65359 29214788 1 ClSO2N4C19H29 ABC2D4E19F29 -73.1 6.41 -8.55 -0.89 0
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65360 29214789 1 SO2N10C16H24 AB2C10D16E24 91.46 6.88 -8.64 -0.94 0
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65361 29214791 1 O2N5C21H33 A2B5C21D33 -15.93 5.51 -8.74 0.23 0
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65362 29214793 1 OSN10C15H22 ABC10D15E22 124.81 9.42 -8.61 -0.64 0
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65363 29214794 1 SN2O4C17H24 AB2C4D17E24 -172.21 5.45 -8.97 -0.13 0
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65364 29214796 1 SF2O2N3C17H17 AB2C2D3E17F17 -112.95 3.33 -8.56 -0.76 0
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65365 29214797 2 OSN2C10H13 ABC2D10E13 -16.71 9.97 -8.33 -1.34 0
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65366 29214798 1 OSN9C22H31 ABC9D22E31 76.7 8.08 -8.36 -0.33 0
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65367 29214801 1 SO2N10C15H24 AB2C10D15E24 44.28 6.2 -8.7 -0.47 0
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65368 29214802 1 ClSO2N4C19H27 ABC2D4E19F27 -61.85 2.79 -8.62 -0.84 0
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65369 29214804 1 ClSO2N4C19H27 ABC2D4E19F27 -61.55 5.31 -9.03 -0.46 0
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65370 29214806 1 SO2N10C17H28 AB2C10D17E28 41.11 7.55 -8.85 -0.49 0
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65371 29214808 1 ClO2N4H13C15 AB2C4D13E15 18.47 4.56 -9.01 -0.93 0
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65372 29214809 1 SO3N10C16H26 AB3C10D16E26 15.81 8.94 -8.94 -0.59 0
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65373 29214812 1 SO2F3N9C21H26 AB2C3D9E21F26 -108.84 9.91 -8.54 -0.44 0
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65374 29214813 1 OS2N3C16H25 AB2C3D16E25 -18.64 6.73 -8.36 -0.79 0
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65375 29214814 1 SO3N4C16H24 AB3C4D16E24 -104.66 9.04 -8.34 -0.72 0
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65376 29214815 1 OSN9C24H35 ABC9D24E35 73.94 9.39 -8.23 -0.48 0
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65377 29214818 1 FNO3C24H24 ABC3D24E24 -91.09 2.73 -9.03 -0.25 0
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65378 29214820 1 FNO3C24H24 ABC3D24E24 -93.05 2.41 -8.95 -0.2 0
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65379 29214821 1 OSN9C23H31 ABC9D23E31 86.28 6.11 -8.9 -0.49 0
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65380 29214822 2 ON3C9H15 AB3C9D15 -52.47 1.93 -8.67 -0.39 0
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65381 29214824 1 OSN9C23H31 ABC9D23E31 89.7 9.24 -8.62 -0.43 1
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65382 29214829 1 O2N4C18H23 A2B4C18D23 -9.71 10.8 0.0 0.0 0
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65383 29214833 1 SO2N5C16H21 AB2C5D16E21 -9.4 3.0 -8.56 -1.21 1
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65384 29214834 1 O2N4C18H23 A2B4C18D23 -14.24 9.06 0.0 0.0 0
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65385 29214835 2 ON2C9H11 AB2C9D11 -36.11 4.39 -9.15 -0.63 0
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65386 29214837 1 OSN9C21H29 ABC9D21E29 81.33 3.17 -8.75 -0.46 0
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65387 29214838 1 O3N5C24H29 A3B5C24D29 -31.18 7.03 -9.21 -0.53 0
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65388 29214842 1 O3N5C24H29 A3B5C24D29 -36.28 7.19 -9.08 -0.14 0
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65389 29214843 1 SO3N4C19H30 AB3C4D19E30 -105.74 7.84 -8.24 -0.55 0
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65390 29214844 1 FOSN10C20H23 ABCD10E20F23 111.39 8.92 -8.66 -1.15 0
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65391 29214845 1 ClSO2N4C22H27 ABC2D4E22F27 -37.46 4.81 -8.46 -0.72 0
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65392 29214846 1 S2O3N10C19H26 A2B3C10D19E26 26.17 6.35 -9.2 -1.02 0
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65393 29214847 1 FO2N4C16H17 AB2C4D16E17 -58.43 6.37 -8.98 -0.79 0
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65394 29214849 1 O2S2N10C21H26 A2B2C10D21E26 85.58 12.28 -8.26 -0.72 0
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65395 29214852 2 OSN2C9H14 ABC2D9E14 -52.9 7.92 -8.37 -0.82 0
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65396 29214853 1 SO3N9C22H31 AB3C9D22E31 15.23 12.31 -8.75 -0.63 0
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65397 29214854 1 ClOSN3C14H20 ABCD3E14F20 -19.88 2.45 -8.57 -0.36 0
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65398 29214856 1 SN3C18H25 AB3C18D25 41.47 2.8 -8.46 -0.1 0
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65399 29214858 1 SO2F3N4C16H25 AB2C3D4E16F25 -219.59 9.55 -9.09 -0.64 0
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65400 29214859 1 SO2N3C16H19 AB2C3D16E19 -29.42 4.94 -9.45 -0.84 0
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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