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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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61326 26708200 1 NF2O3C19H19 AB2C3D19E19 -164.61 4.17 -9.02 -0.55 0
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61327 26708204 1 F2N3O4H11C14 A2B3C4D11E14 -144.66 6.67 -9.95 -1.97 0
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61328 26708214 1 ClFON2H14C20 ABCD2E14F20 -0.66 3.22 -8.89 -1.09 0
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61329 26708216 1 ClN2O2H17C22 AB2C2D17E22 6.25 2.65 -9.04 -0.54 0
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61330 26708218 1 ON4C23H26 AB4C23D26 53.48 4.92 -9.08 -0.56 0
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61331 26708224 1 ClFSN2O3C16H16 ABCD2E3F16G16 -141.29 6.1 -9.57 -1.33 0
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61332 26708234 1 SN3O4C19H19 AB3C4D19E19 -69.82 5.93 -9.31 -0.97 0
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61333 26708236 1 SN3O4C19H19 AB3C4D19E19 -126.4 6.84 -9.1 -1.71 0
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61334 26708237 1 SN2O3H20C21 AB2C3D20E21 -68.88 3.69 -9.16 -1.38 0
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61335 26708243 1 SN3O5C23H25 AB3C5D23E25 -142.29 3.37 -9.35 -1.25 0
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61336 26708246 1 NO4C19H19 AB4C19D19 -133.02 3.5 -9.29 -0.68 0
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61337 26708252 1 SO2N3H21C23 AB2C3D21E23 46.62 3.55 -9.26 -0.88 0
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61338 26708270 1 SN3O4C25H29 AB3C4D25E29 -87.3 6.82 -9.27 -0.42 0
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61339 26708313 1 ClFON5H9C14 ABCD5E9F14 38.01 4.55 -9.63 -1.31 0
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61340 26708314 1 O2N6H18C19 A2B6C18D19 35.18 14.44 -9.07 -1.06 0
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61341 26708315 1 FSO3N6C19H19 ABC3D6E19F19 -43.49 6.91 -9.54 -1.24 0
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61342 26708316 1 FSO3N6C19H19 ABC3D6E19F19 -38.56 7.27 -9.63 -1.18 0
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61343 26708322 1 N3O5C25H29 A3B5C25D29 -157.44 13.29 -8.37 -0.68 0
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61344 26708325 1 ClFN3O3H19C21 ABC3D3E19F21 -116.74 6.45 -9.12 -1.05 0
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61345 26708359 1 SN3O5C23H31 AB3C5D23E31 -203.57 7.02 -9.37 -0.83 0
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61346 26708379 1 S2N3O3H15C20 A2B3C3D15E20 -5.63 3.49 -8.58 -1.22 0
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61347 26708415 1 O2N3H19C22 A2B3C19D22 -7.2 5.93 -8.6 -0.73 0
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61348 26708418 1 N2O3H18C20 A2B3C18D20 -37.35 2.08 -8.61 -0.82 0
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61349 26708427 1 ON3H17C20 AB3C17D20 42.35 2.03 -8.46 -0.84 0
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61350 26708437 1 SO2N3H23C25 AB2C3D23E25 -5.22 6.53 -8.68 -0.8 0
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61351 26708476 1 ClFOSN2H12C20 ABCDE2F12G20 1.48 2.82 -8.99 -1.14 0
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61352 26708487 1 SO3N4C15H18 AB3C4D15E18 -80.86 8.42 -9.27 -1.18 0
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61353 26708502 1 S2O3N4C21H24 A2B3C4D21E24 -55.5 4.92 -8.99 -1.35 0
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61354 26708516 1 FSO2N4C19H19 ABC2D4E19F19 -35.91 6.44 -9.02 -0.77 1
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61355 26708524 1 FO2N3C22H27 AB2C3D22E27 -84.11 5.26 0.0 0.0 0
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61356 26708546 1 SN3O4C19H21 AB3C4D19E21 -59.97 4.88 -8.62 -0.85 0
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61357 26708549 1 NO5C21H27 AB5C21D27 -185.45 1.98 -8.55 -0.09 0
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61358 26708552 1 ClFNO3C17H17 ABCD3E17F17 -142.3 1.76 -8.48 -1.01 0
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61359 26708561 1 ClFNSO3H13C15 ABCDE3F13G15 -134.91 8.51 -9.24 -1.11 0
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61360 26708564 1 ClNSO4H16C17 ABCD4E16F17 -130.98 4.93 -9.28 -0.61 0
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61361 26708571 1 N4O4H16C19 A4B4C16D19 32.93 9.24 -9.78 -1.2 0
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61362 26708578 1 ClN3O5H14C18 AB3C5D14E18 -31.86 4.33 -9.71 -1.3 0
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61363 26708585 1 FSN2O6C19H19 ABC2D6E19F19 -174.46 4.2 -9.69 -1.06 0
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61364 26708592 1 N2O4C23H28 A2B4C23D28 -128.22 3.15 -8.25 0.19 0
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61365 26708616 1 BrFO2S2N3H13C17 ABC2D2E3F13G17 -41.62 5.89 -8.89 -1.27 0
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61366 26708619 1 O2S2N5H21C23 A2B2C5D21E23 57.34 7.51 -8.7 -0.97 0
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61367 26708632 1 SN3O4C24H29 AB3C4D24E29 -106.62 6.41 -8.84 -1.34 0
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61368 26708644 1 SN4O4C24H24 AB4C4D24E24 -26.56 4.56 -8.49 -0.86 0
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61369 26708650 1 S2N3O5H23C24 A2B3C5D23E24 -128.33 6.11 -9.24 -1.68 0
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61370 26708651 1 ClFOSN2H14C18 ABCDE2F14G18 -16.74 3.73 -9.12 -1.3 0
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61371 26708662 1 FS2O3N4H21C23 AB2C3D4E21F23 -57.58 6.94 -8.95 -1.27 0
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61372 26708672 1 FN2O3S3C21H23 AB2C3D3E21F23 -122.91 5.74 -8.97 -0.99 0
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61373 26708704 1 ClS2N3O6H12C18 AB2C3D6E12F18 -79.02 8.27 -9.68 -1.79 0
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61374 26708706 2 SN2O3H9C10 AB2C3D9E10 -94.52 11.26 -9.54 -1.7 0
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61375 26708710 1 SO3N4H18C19 AB3C4D18E19 -70.07 7.2 -8.14 -1.51 0
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61376 26708718 1 N3O3H27C28 A3B3C27D28 -53.17 6.45 -8.13 -0.18 0
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61377 26708719 1 S2N3O4C18H21 A2B3C4D18E21 -111.48 6.85 -8.37 -0.87 0
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61378 26708721 2 SN2O2C11H11 AB2C2D11E11 -72.83 5.69 -8.07 -1.61 0
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61379 26708722 1 SN3O5C23H25 AB3C5D23E25 -137.29 6.98 -8.06 -0.73 0
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61380 26708746 1 BrFSN3O3C19H23 ABCD3E3F19G23 -123.86 7.96 -9.03 -1.11 0
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61381 26708747 1 SN3O5C23H33 AB3C5D23E33 -179.85 10.38 -8.89 -0.46 0
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61382 26708755 1 ClO2N4H21C22 AB2C4D21E22 -9.94 5.93 -8.76 -0.55 0
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61383 26708756 1 ClFSO3N4C22H22 ABCD3E4F22G22 -83.06 8.56 -8.82 -1.02 0
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61384 26708760 1 SF2O2N3H17C23 AB2C2D3E17F23 -44.7 8.28 -9.01 -1.02 0
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61385 26708765 1 F2N2S2O3H22C23 A2B2C2D3E22F23 -145.09 5.97 -9.39 -0.81 0
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61386 26708770 2 FNO3H8C13 ABC3D8E13 -160.01 3.4 -9.24 -1.22 0
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61387 26708787 1 ClSO2N3H12C17 ABC2D3E12F17 24.03 4.73 -9.35 -1.34 0
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61388 26708788 1 ClSO2N3H12C17 ABC2D3E12F17 24.11 4.83 -9.37 -1.33 0
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61389 26708792 1 SO2N3H13C17 AB2C3D13E17 31.43 4.44 -8.91 -1.48 0
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61390 26708798 1 SN2O2H24C25 AB2C2D24E25 -24.87 5.31 -8.7 -0.38 0
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61391 26708801 1 ClSN2O5C20H23 ABC2D5E20F23 -173.09 7.19 -8.76 -0.53 0
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61392 26708809 1 FSN4O5C22H23 ABC4D5E22F23 -149.78 11.52 -8.56 -1.11 0
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61393 26708811 1 SN4O4C22H24 AB4C4D22E24 -53.97 9.6 -8.58 -1.0 0
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61394 26708812 1 ClSO3N5H20C24 ABC3D5E20F24 6.25 3.98 -9.51 -1.18 0
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61395 26708826 1 FSO2N4H17C22 ABC2D4E17F22 17.97 9.2 -8.77 -0.91 0
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61396 26708844 1 F2N2O3H24C26 A2B2C3D24E26 -171.07 7.11 -8.77 -0.2 0
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61397 26708862 1 N2O4C29H30 A2B4C29D30 -100.1 4.3 -8.39 -0.58 0
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61398 26708889 1 ClSN2O3H15C19 ABC2D3E15F19 -35.08 4.0 -8.53 -0.81 0
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61399 26708920 1 FOBr2N3H12C17 ABC2D3E12F17 13.83 3.36 -9.49 -1.25 0
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61400 26708923 1 Br2N3O3H17C19 A2B3C3D17E19 -16.37 3.02 -9.17 -0.78 0