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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166292 74664620 1 O2N5C16H23 A2B5C16D23 -59.09 4.14 -9.3 -1.11 1
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166293 74664621 1 SN2F3O3C21H24 AB2C3D3E21F24 -214.89 5.43 0.0 0.0 0
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166294 74665012 1 BrClNO3H13C17 ABCD3E13F17 -57.45 1.94 -8.47 -0.84 0
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166295 74665799 1 O3N4C20H24 A3B4C20D24 -78.35 3.96 -9.95 -0.81 0
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166296 74666258 1 ClF2N2O2C17H19 AB2C2D2E17F19 -181.34 3.75 -9.13 -0.3 0
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166297 74666509 1 N5O5C23H37 A5B5C23D37 -236.41 5.67 -9.31 0.14 0
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166298 74666520 1 O2N3C14H17 A2B3C14D17 -49.64 5.41 -9.64 -0.7 1
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166299 74666996 1 ClO2N3C22H25 AB2C3D22E25 21.28 3.2 0.0 0.0 0
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166300 74667074 1 ON3C11H15 AB3C11D15 -17.95 5.21 -9.67 -0.48 0
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166301 74667135 2 NO2H5C6 AB2C5D6 -113.22 3.34 -9.97 -1.46 1
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166302 74667136 1 N2F3C6H12 A2B3C6D12 -132.47 5.21 0.0 0.0 -1
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166303 74667469 1 N2O5H11C19 A2B5C11D19 -15.36 3.08 0.0 0.0 -1
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166304 74667470 1 N2O5H11C19 A2B5C11D19 -18.83 5.48 0.0 0.0 -1
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166305 74667471 1 NF2O4H12C20 AB2C4D12E20 -157.76 6.51 0.0 0.0 -1
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166306 74667472 1 BrNO3H11C19 ABC3D11E19 -11.53 2.26 0.0 0.0 0
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166307 74667827 1 ClSN3O4C26H28 ABC3D4E26F28 -106.94 5.69 -8.16 -0.37 0
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166308 74668332 1 SN4O4C18H18 AB4C4D18E18 -69.04 5.67 -9.18 -1.51 1
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166309 74668333 1 O2N4C23H27 A2B4C23D27 4.28 4.43 0.0 0.0 1
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166310 74668334 1 ClN3O3C27H33 AB3C3D27E33 -80.83 4.97 0.0 0.0 1
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166311 74668746 1 ClN2O3C17H22 AB2C3D17E22 -60.73 3.04 0.0 0.0 1
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166312 74669079 1 FON5C19H23 ABC5D19E23 12.77 3.93 0.0 0.0 1
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166313 74669080 1 FN2O3C25H28 AB2C3D25E28 -85.7 4.21 0.0 0.0 1
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166314 74669191 1 ClSN3O3C23H31 ABC3D3E23F31 -75.42 4.07 0.0 0.0 0
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166315 74669278 1 F2N3O3C24H29 A2B3C3D24E29 -163.02 4.42 -8.57 -0.84 1
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166316 74669290 1 N2O3C20H29 A2B3C20D29 -48.49 4.41 0.0 0.0 1
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166317 74669771 1 O3N4C18H25 A3B4C18D25 -98.91 3.48 0.0 0.0 0
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166318 74670167 1 N3O3C20H25 A3B3C20D25 -35.84 7.25 -8.81 -0.64 0
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166319 74670168 1 ClO2N3C19H22 AB2C3D19E22 -7.38 0.95 -9.03 -0.65 0
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166320 74670237 1 ClN4O4H21C22 AB4C4D21E22 -54.99 10.63 -8.64 -2.01 0
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166321 74670238 1 SN3O4C21H31 AB3C4D21E31 -186.21 5.11 -9.12 0.02 2
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166322 74670239 1 ClO2N3C20H22 AB2C3D20E22 38.28 18.15 -6.39 -1.14 1
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166323 74670485 1 SN2O2C17H21 AB2C2D17E21 1.18 2.25 0.0 0.0 1
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166324 74670486 1 SN2O4C23H33 AB2C4D23E33 -120.39 1.3 0.0 0.0 0
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166325 74670487 1 O2N5H15C18 A2B5C15D18 40.09 5.13 -9.32 -1.24 1
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166326 74670764 1 SN3O4C21H22 AB3C4D21E22 -65.99 6.37 0.0 0.0 0
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166327 74671115 1 Cl2O2S3N4H10C14 A2B2C3D4E10F14 53.64 2.75 -9.34 -2.08 0
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166328 74671134 1 SN3O3H15C17 AB3C3D15E17 -28.34 4.06 -8.53 -1.66 0
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166329 74671338 1 N3O4C21H25 A3B4C21D25 -108.85 8.26 -9.39 -0.74 0
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166330 74671349 1 ON4H20C23 AB4C20D23 105.92 2.94 -9.25 -1.25 0
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166331 74671350 1 N3O5H19C21 A3B5C19D21 -7.91 4.55 -8.99 -1.45 0
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166332 74671351 1 FO2N4H19C23 AB2C4D19E23 30.57 0.39 -8.89 -1.15 1
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166333 74671568 1 ClFO2N3C21H24 ABC2D3E21F24 -92.01 6.25 0.0 0.0 1
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166334 74671688 1 OSF2N2C16H19 ABC2D2E16F19 -73.84 3.53 0.0 0.0 1
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166335 74671873 1 O2N4C20H31 A2B4C20D31 -80.77 7.7 0.0 0.0 0
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166336 74672765 1 N3O5C24H25 A3B5C24D25 -159.97 6.67 -9.67 -0.71 2
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166337 74672766 1 O2N5C22H31 A2B5C22D31 -26.18 3.4 -8.06 0.2 1
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166338 74672767 1 N3O5C21H26 A3B5C21D26 -189.65 7.33 0.0 0.0 -1
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166339 74672964 1 OCl2N4H15C19 AB2C4D15E19 62.33 5.34 0.0 0.0 0
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166340 74673074 1 N4O4C25H30 A4B4C25D30 -89.03 6.56 -9.31 -0.84 1
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166341 74673481 1 F2O4N5C19H24 A2B4C5D19E24 -187.21 4.09 0.0 0.0 1
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166342 74673482 1 SN4O5C22H29 AB4C5D22E29 -150.6 7.48 0.0 0.0 0
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166343 74673845 1 S2O3N6H18C20 A2B3C6D18E20 67.79 7.91 -8.87 -1.03 1
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166344 74673846 1 BrN4O6C20H24 AB4C6D20E24 -172.36 4.75 0.0 0.0 0
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166345 74673934 1 F3N3O4C19H22 A3B3C4D19E22 -324.87 3.61 -8.8 -0.32 1
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166346 74674203 1 N3O3C21H26 A3B3C21D26 -50.73 7.75 0.0 0.0 1
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166347 74674467 1 SN2O6C22H31 AB2C6D22E31 -206.82 7.47 0.0 0.0 1
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166348 74674469 1 NO7C26H32 AB7C26D32 -202.38 16.6 0.0 0.0 1
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166349 74674860 1 O2F3N6H12C17 A2B3C6D12E17 -87.69 5.7 0.0 0.0 0
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166350 74675502 1 O3N5C22H31 A3B5C22D31 -103.05 5.42 -8.74 -0.24 0
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166351 74675526 1 N2O2C15H18 A2B2C15D18 -26.02 4.58 -9.42 -1.48 1
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166352 74675773 1 SO2F3N5C20H23 AB2C3D5E20F23 -165.38 5.55 0.0 0.0 -1
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166353 74675907 1 NO4C13H16 AB4C13D16 -152.37 2.33 0.0 0.0 1
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166354 74675908 1 ClON3C16H25 ABC3D16E25 -28.93 5.78 0.0 0.0 0
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166355 74675909 1 N3O4C13H17 A3B4C13D17 -142.27 7.31 -9.51 0.24 0
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166356 74675910 1 N2O3C7H14 A2B3C7D14 -152.64 4.47 -9.96 0.86 2
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166357 74676710 1 ON3C22H37 AB3C22D37 -11.2 19.37 -6.08 -0.8 0
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166358 74676806 1 FN3O3H14C20 AB3C3D14E20 -49.12 6.9 -9.28 -1.67 0
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166359 74676807 1 N4O4C23H26 A4B4C23D26 -90.65 20.8 -7.7 -1.2 1
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166360 74676867 1 FO2N3C21H27 AB2C3D21E27 -103.27 1.72 0.0 0.0 1
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166361 74676912 1 BrFN2O2C17H25 ABC2D2E17F25 -93.63 5.47 0.0 0.0 1
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166362 74677074 1 N2O2C11H13 A2B2C11D13 -22.74 10.6 0.0 0.0 1
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166363 74677883 1 SN3O5C26H34 AB3C5D26E34 -138.28 3.98 0.0 0.0 1
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166364 74677884 1 N3O4C22H28 A3B4C22D28 -92.54 6.98 0.0 0.0 1
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166365 74677885 1 SN3O5C23H30 AB3C5D23E30 -117.33 6.2 0.0 0.0 0
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166366 74677929 2 N3O3C10H14 A3B3C10D14 -230.6 4.85 -9.57 -0.36 0
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166367 74677930 1 SO4N6C22H30 AB4C6D22E30 -161.91 7.86 -8.97 -1.22 1
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166368 74678338 1 ClN2O3C20H24 AB2C3D20E24 -81.8 3.75 0.0 0.0 -1
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166369 74678436 1 S2O4N5C20H22 A2B4C5D20E22 13.9 7.42 0.0 0.0 0
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166370 74678437 1 SN2O5C19H24 AB2C5D19E24 -140.77 6.23 -9.56 -0.97 -1
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166371 74678438 1 N5O5C16H18 A5B5C16D18 -44.85 3.99 0.0 0.0 0
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166372 74678650 1 F2N4O5C24H34 A2B4C5D24E34 -322.08 9.12 -8.78 -0.29 0
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166373 74678888 1 SO2N5C19H27 AB2C5D19E27 -20.78 2.25 -8.68 -0.14 0
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166374 74678889 1 SO2N5C21H25 AB2C5D21E25 3.96 4.23 -8.64 -0.57 1
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166375 74679882 1 O2S2N4C23H23 A2B2C4D23E23 42.63 11.78 0.0 0.0 1
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166376 74679883 1 O2S2N4H25C28 A2B2C4D25E28 74.82 8.27 0.0 0.0 1
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166377 74679892 1 S2N4O4H21C23 A2B4C4D21E23 -19.94 7.76 0.0 0.0 1
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166378 74679983 1 S2N4O4C25H25 A2B4C4D25E25 -36.54 5.39 0.0 0.0 1
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166379 74679984 1 O4N5C23H28 A4B5C23D28 -84.91 4.67 0.0 0.0 1
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166380 74679985 1 S2N4O4C24H25 A2B4C4D24E25 -45.9 7.58 0.0 0.0 0
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166381 74679986 1 O4N5C18H25 A4B5C18D25 -121.86 3.6 -8.66 -0.19 2
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166382 74680469 1 ClO2N6C17H27 AB2C6D17E27 47.44 28.69 -4.65 -1.5 1
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166383 74681261 1 FSO2N4C23H24 ABC2D4E23F24 -24.78 3.89 0.0 0.0 2
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166384 74681524 1 N2C5H12 A2B5C12 13.35 2.33 -9.24 2.46 -1
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166385 74681525 1 O3F6H7C10 A3B6C7D10 -394.84 6.28 0.0 0.0 0
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166386 74681526 1 O3F6H8C10 A3B6C8D10 -419.76 7.62 -10.65 -1.15 1
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166387 74681527 1 NO2C11H16 AB2C11D16 -36.84 4.57 0.0 0.0 1
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166388 74682052 1 SO2N4C18H25 AB2C4D18E25 -46.77 15.7 0.0 0.0 0
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166389 74682786 1 BrClO2N4F6H16C21 ABC2D4E6F16G21 -322.0 2.41 -9.36 -0.78 0
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166390 74682787 1 BrClON4F6H16C21 ABCD4E6F16G21 -280.1 3.49 -9.55 -0.99 0
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166391 74682788 1 ClSF3O3N4C26H26 ABC3D3E4F26G26 -217.76 3.77 -8.57 -1.43 0