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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139313 52508375 1 SN3O3C19H24 AB3C3D19E24 -66.58 3.41 0.0 0.0 0
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139314 52508376 1 SO2N4C18H18 AB2C4D18E18 51.25 4.12 -8.33 -0.9 0
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139315 52508377 1 SO2N4C18H18 AB2C4D18E18 50.69 4.2 -8.24 -0.87 0
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139316 52508378 1 SN3O3C19H23 AB3C3D19E23 -82.37 6.36 -8.44 -0.91 0
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139317 52508379 1 SN3O3C19H23 AB3C3D19E23 -83.52 5.59 -8.34 -0.89 0
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139318 52508992 1 O2N3C23H23 A2B3C23D23 -3.1 3.15 -9.33 -1.28 0
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139319 52509149 1 OSF3N4C16H17 ABC3D4E16F17 -141.42 2.31 -9.45 -1.36 0
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139320 52509194 1 N3O4C19H21 A3B4C19D21 -128.02 7.5 -8.68 -0.5 0
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139321 52509713 1 BrFO2N3C14H17 ABC2D3E14F17 -101.75 2.13 -9.73 -0.57 -1
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139322 52510077 1 OSN8H15C16 ABC8D15E16 132.33 7.82 0.0 0.0 0
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139323 52510078 1 N3O3C20H25 A3B3C20D25 -80.29 5.22 -8.17 0.13 0
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139324 52510336 1 F2O2N3H13C17 A2B2C3D13E17 -33.42 5.21 -9.06 -1.46 1
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139325 52511030 1 FON6C19H22 ABC6D19E22 49.88 8.37 0.0 0.0 0
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139326 52511031 1 SN2O3C19H24 AB2C3D19E24 -81.81 4.69 -8.54 -0.94 0
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139327 52511032 1 SN2O3C19H24 AB2C3D19E24 -79.51 5.44 -8.41 -0.9 1
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139328 52511040 1 SO2N4C19H27 AB2C4D19E27 -23.43 4.42 0.0 0.0 0
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139329 52511349 1 SN2O3C18H28 AB2C3D18E28 -140.96 2.08 -8.53 0.2 0
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139330 52511442 1 FO3N5C24H30 AB3C5D24E30 -112.21 5.95 -9.25 -0.96 1
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139331 52511471 1 O3N4C19H25 A3B4C19D25 -84.38 6.04 0.0 0.0 0
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139332 52511634 1 SN2O2F3C17H23 AB2C2D3E17F23 -235.27 1.86 -9.09 -0.75 0
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139333 52511766 1 N3O3C26H27 A3B3C26D27 -14.67 3.75 -9.06 -1.06 0
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139334 52511767 1 N3O3C26H27 A3B3C26D27 -17.74 4.27 -9.1 -1.11 1
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139335 52511768 1 O2F3N3C20H31 A2B3C3D20E31 -243.21 2.78 0.0 0.0 0
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139336 52511811 1 SN2O3C19H24 AB2C3D19E24 -90.05 1.28 -8.35 -0.17 -1
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139337 52511812 1 OSN9H14C15 ABC9D14E15 163.51 7.75 0.0 0.0 0
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139338 52511813 1 OSF3N5C15H18 ABC3D5E15F18 -139.81 3.52 -9.32 -1.15 0
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139339 52512034 1 S2O3N4C14H22 A2B3C4D14E22 -101.61 2.09 -9.2 -1.27 0
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139340 52512783 1 ClO3N5H20C23 AB3C5D20E23 -38.51 6.7 -9.04 -0.67 0
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139341 52513698 1 SF2N2O2C19H20 AB2C2D2E19F20 -129.53 4.65 -8.37 -0.97 0
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139342 52513699 1 SF2N2O2C19H20 AB2C2D2E19F20 -128.87 6.54 -8.4 -1.05 1
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139343 52513700 1 O2N4C21H27 A2B4C21D27 -33.27 3.74 0.0 0.0 0
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139344 52513948 1 ClON4H19C20 ABC4D19E20 60.36 2.81 -9.59 -0.54 0
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139345 52514054 1 N3O3C23H33 A3B3C23D33 -132.33 3.67 -8.45 -0.13 0
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139346 52514055 1 O2N4C21H26 A2B4C21D26 -39.5 5.1 -9.51 -0.04 0
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139347 52514056 1 O2N4C21H26 A2B4C21D26 -40.48 4.06 -9.36 -0.38 1
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139348 52514057 1 ClSO2N3C16H23 ABC2D3E16F23 -48.59 1.81 0.0 0.0 0
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139349 52514142 1 N3O4C19H19 A3B4C19D19 -51.47 6.56 -8.71 -1.45 0
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139350 52514227 1 FSN2O3C17H25 ABC2D3E17F25 -172.45 4.94 -9.36 0.15 0
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139351 52514428 1 SN3O3C18H23 AB3C3D18E23 -68.1 3.08 -9.08 -0.32 0
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139352 52514429 1 N2S2O3C16H20 A2B2C3D16E20 -55.77 5.04 -7.83 -0.96 0
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139353 52514430 1 N2S2O3C16H20 A2B2C3D16E20 -56.06 5.93 -7.8 -0.95 1
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139354 52514491 1 NO2F3C20H23 AB2C3D20E23 -190.31 7.75 0.0 0.0 1
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139355 52514659 1 O3N5C19H20 A3B5C19D20 -26.89 3.5 0.0 0.0 0
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139356 52515586 1 O2S2N3C19H27 A2B2C3D19E27 -50.17 8.26 -9.04 -0.52 0
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139357 52516308 1 NO3S3C15H23 AB3C3D15E23 -132.05 7.74 -9.3 -0.52 1
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139358 52516628 1 N3O3C23H26 A3B3C23D26 -68.74 17.73 0.0 0.0 0
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139359 52516685 1 OSN3H17C21 ABC3D17E21 86.05 6.41 -9.32 -1.29 0
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139360 52516753 1 SN2O3C19H22 AB2C3D19E22 -83.09 3.58 -9.09 -0.83 0
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139361 52516754 1 SN2O3C19H22 AB2C3D19E22 -82.4 7.23 -9.23 -0.82 0
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139362 52518043 1 SN4O4C17H18 AB4C4D17E18 -18.33 3.08 -8.51 -0.82 0
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139363 52518469 1 ON3C26H31 AB3C26D31 10.78 2.29 -8.12 0.18 1
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139364 52518470 1 ON3C26H32 AB3C26D32 25.88 4.0 0.0 0.0 0
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139365 52518588 1 SN3O4C23H37 AB3C4D23E37 -199.21 9.52 -9.08 -0.8 0
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139366 52518646 1 O3N4H18C21 A3B4C18D21 39.35 3.74 -8.9 -0.95 -1
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139367 52518647 1 ClS2N3O3H13C15 AB2C3D3E13F15 35.39 3.42 0.0 0.0 1
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139368 52518648 1 N3O3C21H26 A3B3C21D26 -60.71 9.08 0.0 0.0 0
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139369 52518783 2 ON2C10H14 AB2C10D14 -4.63 7.09 -8.93 -1.09 1
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139370 52518917 1 N4O4C22H25 A4B4C22D25 6.32 5.74 0.0 0.0 0
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139371 52518948 1 S2N3O3C16H19 A2B3C3D16E19 -80.88 6.17 -8.31 -0.4 -1
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139372 52519085 1 FSN3O3H17C19 ABC3D3E17F19 -74.14 3.1 0.0 0.0 0
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139373 52519086 1 ON5C13H19 AB5C13D19 17.3 4.45 -10.38 -1.19 1
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139374 52519155 1 ClSN3O3C17H27 ABC3D3E17F27 -103.37 9.25 0.0 0.0 1
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139375 52519550 1 O2N6C22H27 A2B6C22D27 -6.64 6.06 0.0 0.0 0
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139376 52519805 1 N3O4C19H19 A3B4C19D19 -116.29 3.27 -8.88 -0.57 1
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139377 52519881 1 N2O2C22H33 A2B2C22D33 -63.64 2.58 0.0 0.0 0
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139378 52519977 1 SN2O4C17H26 AB2C4D17E26 -150.66 7.01 -8.95 0.08 0
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139379 52520200 1 BrO2N3C17H24 AB2C3D17E24 -79.54 2.51 -9.15 -0.35 1
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139380 52520400 1 ON5C22H32 AB5C22D32 5.82 9.38 0.0 0.0 0
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139381 52520580 2 ON2C10H14 AB2C10D14 -68.28 8.06 -8.62 0.1 0
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139382 52520581 2 ON2C10H14 AB2C10D14 -71.08 6.69 -8.74 -0.26 1
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139383 52520622 1 O2N3C22H34 A2B3C22D34 -88.26 3.23 0.0 0.0 0
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139384 52520636 1 ClSO2N6C22H23 ABC2D6E22F23 60.05 4.29 -9.22 -0.88 0
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139385 52521052 1 SCl2N2O3C14H14 AB2C2D3E14F14 -50.5 5.81 -8.58 -0.36 0
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139386 52521059 1 FSO2N3C20H20 ABC2D3E20F20 -71.89 4.87 -8.86 -0.52 0
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139387 52521321 1 O3N5C25H31 A3B5C25D31 -66.28 4.01 -8.47 -0.5 0
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139388 52521930 1 FSN4O5H15C17 ABC4D5E15F17 -62.86 7.31 -9.28 -1.03 0
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139389 52521931 1 ON7C19H29 AB7C19D29 19.69 8.41 -8.92 -0.59 0
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139390 52521954 1 ClSN2C19H23 ABC2D19E23 10.33 8.24 -8.47 -0.45 0
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139391 52521955 1 ClSN2O2C17H19 ABC2D2E17F19 -48.83 7.63 -8.4 -0.63 0
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139392 52521956 1 ClOSN2C17H17 ABCD2E17F17 -6.72 8.86 -8.64 -0.77 0
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139393 52521957 1 OSCl2N2C17H18 ABC2D2E17F18 -22.45 7.74 -8.38 -0.61 0
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139394 52521958 1 SCl2N2C14H18 AB2C2D14E18 19.36 4.42 -8.68 -0.8 0
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139395 52521959 1 ClOSN3H16C17 ABCD3E16F17 1.24 5.92 -8.66 -0.78 0
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139396 52522055 1 FSN2O3C21H25 ABC2D3E21F25 -139.99 4.54 -8.34 -0.62 0
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139397 52522056 1 N2S2O3F4H18C19 A2B2C3D4E18F19 -249.48 3.1 -9.02 -1.55 0
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139398 52522155 1 SO3N4C18H24 AB3C4D18E24 -89.95 1.44 -9.03 -0.28 -2
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139399 52522628 1 NO5H19C23 AB5C19D23 -39.81 8.3 -8.9 -2.93 0
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139400 52522656 1 S2N3O4C20H21 A2B3C4D20E21 -74.15 10.35 -8.41 -1.52 0
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139401 52522657 1 S2N3O4C20H21 A2B3C4D20E21 -73.72 14.24 -8.4 -1.47 1
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139402 52522852 1 SO2N4C14H23 AB2C4D14E23 -38.79 5.33 0.0 0.0 1
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139403 52522878 1 N3O5C24H30 A3B5C24D30 -153.76 3.8 0.0 0.0 0
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139404 52522901 1 N3O4H17C20 A3B4C17D20 -75.6 2.88 -8.85 -1.1 0
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139405 52522902 1 N3O4H17C20 A3B4C17D20 -75.69 3.2 -8.87 -1.08 1
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139406 52523617 1 O2N7C19H30 A2B7C19D30 -8.24 8.1 0.0 0.0 0
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139407 52523655 1 SN2O5C21H24 AB2C5D21E24 -159.15 9.5 -8.53 -0.69 1
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139408 52524483 1 O2N3C22H34 A2B3C22D34 -82.13 2.04 0.0 0.0 0
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139409 52524850 1 FO2N3C20H28 AB2C3D20E28 -125.66 7.42 -9.0 -0.13 0
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139410 52524916 1 SO2N4C18H22 AB2C4D18E22 -34.17 3.96 -8.48 -0.96 0
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139411 52524917 1 SO2N4C18H22 AB2C4D18E22 -34.16 1.76 -8.78 -0.86 1
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139412 52525788 1 ClSO2N4C20H28 ABC2D4E20F28 -61.26 11.23 0.0 0.0 0