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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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38953 8138228 1 SO2N3C14H15 AB2C3D14E15 -19.34 2.6 -8.97 -0.52 0
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38954 8138233 1 FN2O4H15C17 AB2C4D15E17 -65.79 1.66 -9.8 -1.61 0
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38955 8138234 1 FN2O4H15C17 AB2C4D15E17 -65.72 1.72 -9.8 -1.61 0
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38956 8138237 1 SO3N4H14C15 AB3C4D14E15 -55.29 1.45 -8.87 -0.7 0
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38957 8138238 1 FN3O5H16C18 AB3C5D16E18 -129.98 3.36 -8.34 -1.68 0
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38958 8138243 1 SN2O7C17H24 AB2C7D17E24 -273.19 8.35 -9.42 -1.15 0
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38959 8138244 1 SN2O7C17H24 AB2C7D17E24 -273.27 6.05 -9.45 -1.16 0
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38960 8138246 1 SO3N6C17H20 AB3C6D17E20 -59.33 3.35 -8.7 -0.75 0
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38961 8138248 3 NOC5H5 ABC5D5 -53.4 3.09 -9.48 -0.73 0
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38962 8138249 1 SN2O3C13H14 AB2C3D13E14 -76.81 3.84 -9.54 -1.55 0
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38963 8138251 2 N2O2C9H9 A2B2C9D9 -42.84 2.68 -9.26 -0.51 0
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38964 8138255 1 SN3O3H15C19 AB3C3D15E19 14.83 1.93 -9.39 -1.49 0
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38965 8138258 1 SN3O4C16H17 AB3C4D16E17 -95.91 4.44 -9.49 -1.49 0
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38966 8138261 1 FSN3O3H12C18 ABC3D3E12F18 -42.29 1.29 -9.46 -1.5 0
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38967 8138262 1 FO2N3H12C13 AB2C3D12E13 -65.52 2.35 -9.41 -0.41 0
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38968 8138263 1 FSN3O3H12C18 ABC3D3E12F18 -42.93 1.41 -9.5 -1.54 0
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38969 8138265 1 SN2O3H16C19 AB2C3D16E19 -24.55 3.31 -9.33 -1.31 0
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38970 8138266 1 Cl2O2N3H11C14 A2B2C3D11E14 -11.73 2.15 -9.47 -1.19 0
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38971 8138270 1 O2N3C16H17 A2B3C16D17 -29.09 2.39 -9.3 -0.34 0
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38972 8138271 1 N3O4C16H19 A3B4C16D19 -97.22 1.76 -8.35 -0.37 0
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38973 8138274 1 SN3O3H15C19 AB3C3D15E19 -5.13 4.23 -9.48 -1.5 0
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38974 8138275 1 BrSO2N3H12C13 ABC2D3E12F13 -8.56 2.28 -9.23 -0.95 0
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38975 8138276 1 SN3O3H15C19 AB3C3D15E19 -5.25 4.03 -9.43 -1.44 0
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38976 8138279 1 ClSN3O3H10C17 ABC3D3E10F17 20.16 1.33 -9.53 -1.57 0
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38977 8138280 1 SN3O4C15H15 AB3C4D15E15 -86.77 2.7 -8.86 -0.51 0
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38978 8138282 1 SN3O5H15C19 AB3C5D15E19 -52.6 2.85 -8.9 -1.46 0
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38979 8138283 1 BrF2N3O3H12C15 AB2C3D3E12F15 -137.43 2.16 -9.0 -1.25 0
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38980 8138285 1 SN2O3C13H14 AB2C3D13E14 -87.76 1.95 -9.54 -1.57 0
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38981 8138286 1 N3O3H15C19 A3B3C15D19 -17.76 2.11 -8.91 -0.83 0
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38982 8138287 1 SN2O3C13H14 AB2C3D13E14 -87.7 4.96 -9.63 -1.62 0
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38983 8138288 1 BrClN3O3H11C13 ABC3D3E11F13 -50.8 1.2 -9.36 -0.76 0
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38984 8138289 1 SN2O3C20H20 AB2C3D20E20 -56.9 1.84 -9.39 -1.4 0
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38985 8138291 1 SN4O4C15H18 AB4C4D15E18 -103.16 5.14 -9.04 -0.6 0
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38986 8138296 1 N3O4H13C14 A3B4C13D14 -91.85 1.55 -9.56 -1.19 0
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38987 8138298 1 N3O4C17H19 A3B4C17D19 -76.77 1.03 -8.45 -0.48 0
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38988 8138299 1 SO2N4C22H26 AB2C4D22E26 3.5 5.4 -8.71 -0.42 0
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38989 8138300 1 SO2N4C22H26 AB2C4D22E26 -5.14 4.3 -8.91 -0.32 0
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38990 8138301 1 N3O4C17H21 A3B4C17D21 -104.54 2.24 -8.7 -0.46 0
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38991 8138304 1 F2N4O5C16H16 A2B4C5D16E16 -235.74 2.75 -9.45 -0.84 0
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38992 8138306 1 ClSN2O4C18H23 ABC2D4E18F23 -147.35 3.36 -9.08 -0.68 0
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38993 8138307 1 N3O4C17H19 A3B4C17D19 -76.7 2.09 -8.48 -0.75 0
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38994 8138308 1 ClSO2N5C14H16 ABC2D5E14F16 -35.48 1.9 -8.88 -0.54 0
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38995 8138313 1 SN4O5C19H24 AB4C5D19E24 -147.07 7.13 -9.32 -0.77 0
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38996 8138314 1 SN4O5C19H24 AB4C5D19E24 -143.86 6.92 -9.19 -0.88 0
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38997 8138315 1 SO2N3C16H19 AB2C3D16E19 -34.2 1.38 -8.72 -0.39 0
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38998 8138316 1 BrNSO3C15H20 ABCD3E15F20 -129.93 2.59 -9.27 -0.63 0
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38999 8138317 1 O3N4H18C19 A3B4C18D19 -39.79 2.55 -8.87 -0.49 0
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39000 8138320 1 BrO3N4C15H15 AB3C4D15E15 -55.61 1.51 -9.46 -0.85 0
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39001 8138322 1 SN4O4C14H16 AB4C4D14E16 -88.16 5.94 -9.21 -0.67 0
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39002 8138324 1 ClOSN6H17C19 ABCD6E17F19 128.16 5.47 -9.32 -1.16 0
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39003 8138325 1 ClO2S2N3C12H12 AB2C2D3E12F12 -13.31 2.91 -9.14 -0.74 0
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39004 8138329 1 N3O3C14H15 A3B3C14D15 -57.6 3.35 -9.01 -0.28 0
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39005 8138336 1 FSN4O4C17H19 ABC4D4E17F19 -142.05 3.46 -9.38 -0.77 0
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39006 8138338 1 N3O4C19H23 A3B4C19D23 -89.88 2.74 -8.43 -0.8 0
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39007 8138340 1 BrN3O3C14H14 AB3C3D14E14 -52.72 1.8 -9.15 -0.43 0
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39008 8138341 1 ClOSN5C20H22 ABCD5E20F22 51.08 8.78 -9.11 -0.85 0
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39009 8138343 1 ClOSN5C20H22 ABCD5E20F22 51.68 7.22 -9.18 -0.91 0
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39010 8138344 1 SN3O5H19C20 AB3C5D19E20 -137.2 1.51 -9.33 -1.35 0
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39011 8138349 1 SO2N3C15H19 AB2C3D15E19 -37.74 2.67 -9.24 -0.77 0
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39012 8138352 1 OSN3C13H15 ABC3D13E15 8.69 1.93 -9.15 -1.2 0
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39013 8138356 1 OSN3H19C20 ABC3D19E20 35.93 3.59 -8.87 -0.96 0
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39014 8138358 1 ClN3O3C17H20 AB3C3D17E20 -85.69 1.51 -8.93 -0.45 0
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39015 8138359 1 ClOSN4H11C17 ABCD4E11F17 109.23 2.9 -9.35 -1.32 0
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39016 8138360 1 O3N5C18H19 A3B5C18D19 -33.87 1.69 -8.98 -1.11 0
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39017 8138361 1 SO2N3C13H13 AB2C3D13E13 -9.84 2.36 -9.14 -0.62 0
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39018 8138362 1 S2N3O3C19H23 A2B3C3D19E23 -84.14 7.49 -9.37 -1.4 0
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39019 8138364 1 S2N3O3C19H23 A2B3C3D19E23 -80.84 5.15 -9.15 -1.19 0
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39020 8138365 1 O2S2N5C16H17 A2B2C5D16E17 -2.79 3.03 -8.79 -0.94 0
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39021 8138368 1 ClN3O4C14H14 AB3C4D14E14 -91.94 2.94 -8.91 -0.68 0
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39022 8138377 1 BrSN4O4C13H13 ABC4D4E13F13 -80.82 4.05 -9.0 -0.94 0
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39023 8138380 1 OSN3H17C19 ABC3D17E19 57.01 2.34 -9.25 -1.3 0
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39024 8138382 1 SN4O4C15H18 AB4C4D15E18 -98.83 5.4 -9.22 -0.55 0
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39025 8138383 1 SO2N3H17C21 AB2C3D17E21 15.65 4.28 -8.78 -1.18 0
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39026 8138384 1 ClSN4O4C14H15 ABC4D4E14F15 -101.78 3.81 -9.18 -0.43 0
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39027 8138385 1 SO3N5H13C15 AB3C5D13E15 -60.51 7.55 -8.83 -0.89 0
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39028 8138390 1 OSN4H16C19 ABC4D16E19 83.02 3.03 -9.23 -1.34 1
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39029 8138392 1 ClO2F3N5C17H18 AB2C3D5E17F18 -180.69 5.71 0.0 0.0 0
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39030 8138393 1 ClO2F3N5C17H17 AB2C3D5E17F17 -179.8 6.78 -8.95 -0.74 0
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39031 8138397 1 OSN3C13H15 ABC3D13E15 0.97 5.29 -9.26 -1.22 0
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39032 8138400 1 OSN3C20H21 ABC3D20E21 26.11 2.91 -8.88 -0.98 0
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39033 8138402 1 OSN3C20H21 ABC3D20E21 26.14 3.27 -8.87 -0.95 0
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39034 8138404 1 FO2N3H12C14 AB2C3D12E14 -42.88 1.75 -9.28 -0.81 0
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39035 8138406 1 SO2N3C15H17 AB2C3D15E17 -28.75 2.59 -8.72 -0.33 0
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39036 8138408 1 SO2N3C15H17 AB2C3D15E17 -29.42 2.6 -8.97 -0.47 0
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39037 8138411 1 BrN4O4H9C12 AB4C4D9E12 -8.42 6.14 -9.73 -1.5 0
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39038 8138412 1 ClN3O4C16H16 AB3C4D16E16 -79.41 5.08 -8.72 -1.01 0
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39039 8138413 1 N2O5C22H22 A2B5C22D22 -92.4 3.44 -9.44 -0.83 0
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39040 8138415 1 SN3O4C13H13 AB3C4D13E13 -88.69 6.98 -9.24 -1.3 0
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39041 8138416 1 ClN2O5H17C20 AB2C5D17E20 -84.9 4.09 -9.51 -0.98 0
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39042 8138417 1 SF2O2N3H17C20 AB2C2D3E17F20 -87.61 3.31 -9.16 -0.53 0
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39043 8138419 1 ClSO2N3H18C20 ABC2D3E18F20 -3.01 4.13 -9.1 -0.57 0
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39044 8138420 1 FN2O5H19C21 AB2C5D19E21 -154.01 2.28 -9.64 -1.31 0
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39045 8138422 1 FN2O5H19C21 AB2C5D19E21 -151.37 4.13 -9.56 -1.37 0
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39046 8138423 1 ClSO2N3C14H14 ABC2D3E14F14 -25.27 1.32 -9.14 -0.48 0
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39047 8138424 1 NSO7C20H25 ABC7D20E25 -245.51 8.53 -9.47 -0.57 0
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39048 8138425 1 ClN3O3H12C13 AB3C3D12E13 -56.08 0.99 -9.52 -0.45 0
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39049 8138426 1 SO2N3C14H15 AB2C3D14E15 -13.7 2.33 -8.78 -0.6 0
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39050 8138505 1 SN3O4H19C21 AB3C4D19E21 -51.89 5.43 -8.97 -0.77 0
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39051 8138524 2 ON2H6C7 AB2C6D7 10.16 1.27 -8.93 -0.75 0
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39052 8138561 1 N2O5H22C24 A2B5C22D24 -104.66 3.39 -9.32 -0.6 0