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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403263 135059443 1 BrClN2O4H10C13 ABC2D4E10F13 -11.25 3.93 -9.73 -1.68 0
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403264 135059445 1 ClIO6C34H46 ABC6D34E46 -302.39 4.83 -9.75 -1.2 0
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403265 135059448 1 BrO3N4H17C21 AB3C4D17E21 70.14 9.2 -8.89 -1.4 0
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403266 135059450 1 OH10C14 AB10C14 46.28 2.44 -8.88 -0.8 0
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403267 135059453 1 NO5C13H19 AB5C13D19 -211.79 2.75 -8.75 -0.62 -2
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403268 135059455 1 NPO9C14H18 ABC9D14E18 -407.76 2.28 -9.59 -0.65 0
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403269 135059458 1 NO3C12H23 AB3C12D23 -179.79 1.87 -10.0 0.67 -1
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403270 135059461 1 N2O17C25H33 A2B17C25D33 -618.87 8.85 0.0 0.0 -1
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403271 135059463 1 N2O18C26H35 A2B18C26D35 -688.56 9.65 0.0 0.0 0
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403272 135059476 1 OSiC19H24 ABC19D24 -56.89 1.54 -9.22 0.09 0
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403273 135059485 1 NSiO3C28H31 ABC3D28E31 -87.65 1.94 -9.07 -0.14 0
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403274 135059487 1 OSiC26H32 ABC26D32 -10.3 0.92 -8.75 -0.17 0
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403275 135059491 1 N2O3S3H6C15F18 A2B3C3D6E15F18 -1007.61 7.39 -9.69 -1.62 0
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403276 135059500 1 O2H16C17 A2B16C17 -26.33 1.93 -8.36 -0.45 0
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403277 135059510 1 SO7H10C12 AB7C10D12 -224.48 4.88 -9.28 -1.13 0
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403278 135059512 1 O2C11H12 A2B11C12 -45.06 3.71 -10.12 -0.76 0
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403279 135059540 1 NO5C16H17 AB5C16D17 -148.01 1.65 -9.04 -1.25 0
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403280 135059541 1 SO3H12C15 AB3C12D15 -48.29 7.38 -8.67 -1.09 0
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403281 135059542 1 OH12C14 AB12C14 0.8 0.97 -8.5 -0.39 0
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403282 135059543 1 SO3C16H16 AB3C16D16 -91.88 6.09 -9.14 -1.0 0
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403283 135059544 1 SO5H12C14 AB5C12D14 -153.59 6.19 -9.04 -0.81 0
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403284 135059545 1 SO3H12C14 AB3C12D14 -85.54 6.58 -9.2 -0.95 0
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403285 135059557 1 BrON4H23C25 ABC4D23E25 93.15 7.11 -8.88 -0.63 0
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403286 135059558 1 BrO2H27C29 AB2C27D29 -3.92 1.07 -8.83 -0.47 0
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403287 135059562 2 NH8C9 AB8C9 94.48 4.5 -8.89 -0.41 0
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403288 135059583 1 O5C14H16 A5B14C16 -201.55 5.11 -9.34 -1.04 0
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403289 135059584 1 BrNO3C14H16 ABC3D14E16 -80.57 1.95 -9.83 -1.28 0
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403290 135059585 1 N2O5C14H16 A2B5C14D16 -87.07 5.35 -10.63 -1.76 0
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403291 135059586 2 OC11H11 AB11C11 -38.54 2.24 -8.81 -0.71 0
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403292 135059589 1 O3C16H20 A3B16C20 -123.25 1.92 -8.86 0.04 0
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403293 135059591 1 BBrNO3C14H19 ABCD3E14F19 -209.86 3.92 -9.16 -0.46 -1
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403294 135059592 1 BBrNO3C14H18 ABCD3E14F18 -172.51 0.82 0.0 0.0 0
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403295 135059597 1 N2O4H24C25 A2B4C24D25 -86.42 1.74 -8.14 -1.43 0
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403296 135059598 1 SiN3O6C23H31 AB3C6D23E31 -193.43 7.41 -9.02 -1.31 0
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403297 135059603 1 NOH23C25 ABC23D25 33.7 2.96 -8.39 -0.26 0
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403298 135059604 1 BrNCl2H8C15 ABC2D8E15 61.55 2.67 -9.41 -1.3 0
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403299 135059614 1 BrO2F3N6H20C23 AB2C3D6E20F23 -85.4 2.56 -9.41 -1.86 0
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403300 135059615 1 F3O3N7H20C24 A3B3C7D20E24 -58.74 4.7 -9.32 -1.71 0
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403301 135059616 1 NPO5C10H20 ABC5D10E20 -255.54 3.5 -10.07 0.26 0
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403302 135059617 1 ISC10H11 ABC10D11 21.3 2.12 -8.46 -0.97 0
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403303 135059619 1 ISN2O2H15C17 ABC2D2E15F17 3.72 4.9 -9.02 -1.15 0
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403304 135059621 1 BrOSN3H14C16 ABCD3E14F16 71.72 8.53 -9.22 -0.83 0
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403305 135059625 1 O7H24C28 A7B24C28 -202.46 1.99 -8.84 -0.44 0
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403306 135059658 1 NO6H21C23 AB6C21D23 -87.21 8.24 -9.14 -1.33 0
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403307 135059660 2 FOC7H8 ABC7D8 -159.49 2.38 -9.63 -0.55 0
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403308 135059666 1 NPSC13H20 ABCD13E20 -41.5 6.09 -8.63 -0.27 0
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403309 135059668 1 OPC12H21 ABC12D21 -96.35 4.85 -9.33 0.9 0
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403310 135059674 1 OPS3C26H27 ABC3D26E27 -6.38 5.98 -8.65 -0.8 0
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403311 135059692 1 Si2O7C28H46 A2B7C28D46 -496.24 1.9 -8.26 0.0 0
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403312 135059693 1 NO2C24H33 AB2C24D33 -85.49 1.45 -9.26 -0.24 0
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403313 135059698 1 ClSO3H7C12 ABC3D7E12 -74.16 5.03 -9.31 -1.42 0
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403314 135059706 1 NOC13H17 ABC13D17 -29.84 3.25 -8.43 0.14 0
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403315 135059707 2 NOH14C17 ABC14D17 55.22 3.21 -7.88 -0.53 0
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403316 135059710 1 BrS2N3O6C21H26 AB2C3D6E21F26 -145.09 7.18 -9.4 -1.82 0
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403317 135059711 1 BrSO3N4C17H19 ABC3D4E17F19 -18.0 6.24 -9.61 -0.94 0
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403318 135059712 1 N2H10C13 A2B10C13 80.24 4.76 -9.24 -1.09 0
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403319 135059713 1 SeN2C8H17 AB2C8D17 21.94 3.6 0.0 0.0 0
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403320 135059721 1 NO3C16H19 AB3C16D19 -70.54 4.66 -9.11 -0.66 0
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403321 135059733 1 N2O2H16C17 A2B2C16D17 -17.06 3.82 -8.63 -0.97 0
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403322 135059736 1 ClSN2O2H13C18 ABC2D2E13F18 -1.91 9.23 -8.84 -0.96 0
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403323 135059739 2 N2O3H12C14 A2B3C12D14 -36.85 6.87 -7.92 -2.39 0
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403324 135059740 1 N2H18C21 A2B18C21 103.49 3.11 -8.26 -0.49 0
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403325 135059741 1 BN3O5H16C17 AB3C5D16E17 -200.58 7.13 -8.06 -0.79 0
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403326 135059743 1 SN3O5H29C30 AB3C5D29E30 -116.52 6.11 -8.6 -0.89 0
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403327 135059750 1 N2O2H16C19 A2B2C16D19 -2.29 1.21 -8.53 -0.47 0
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403328 135059757 1 ICl2N2O4H23C29 AB2C2D4E23F29 -65.95 1.6 -8.47 -1.11 0
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403329 135059760 1 ClIN2O2F3C29H29 ABC2D2E3F29G29 -197.85 5.67 -9.31 -1.3 0
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403330 135059761 1 ClN2O3H15C19 AB2C3D15E19 30.54 3.66 -9.64 -1.74 0
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403331 135059767 1 SO2N3H29C33 AB2C3D29E33 72.84 10.46 -8.46 -1.08 0
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403332 135059768 1 NSO2C16H17 ABC2D16E17 -53.36 4.06 -8.82 -0.56 1
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403333 135059774 1 NOS2C13H16 ABC2D13E16 5.68 5.44 0.0 0.0 0
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403334 135059775 1 NiC6H8 AB6C8 75.97 0.51 -7.34 0.78 0
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403335 135059776 2 O2C4H9 A2B4C9 -201.35 2.01 -10.15 1.86 0
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403336 135059779 1 BC14H23 AB14C23 -31.38 1.54 -9.06 0.89 0
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403337 135059781 1 OC15H28 AB15C28 -74.81 2.66 -8.9 0.55 0
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403338 135059788 1 BrSiN2C13H29 ABC2D13E29 -115.58 2.95 -8.23 0.8 0
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403339 135059793 1 O6C7H12 A6B7C12 -261.98 2.42 -10.24 0.83 0
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403340 135059796 1 ClNOH10C11 ABCD10E11 -4.17 3.14 -9.44 -0.22 0
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403341 135059797 1 SiO2C13H24 AB2C13D24 -124.64 2.13 -9.16 0.53 0
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403342 135059803 1 N2O3H20C26 A2B3C20D26 3.26 2.5 -8.75 -0.99 0
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403343 135059805 1 SO3N7H19C21 AB3C7D19E21 43.42 6.46 -8.73 -1.17 0
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403344 135059808 1 N2C17H20 A2B17C20 37.37 3.01 -8.26 -0.44 0
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403345 135059819 1 N2O5H26C28 A2B5C26D28 -87.25 2.68 -8.54 -0.38 0
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403346 135059821 1 ON2H26C32 AB2C26D32 69.72 3.63 -7.95 -0.44 0
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403347 135059823 1 ClO2N3H16C23 AB2C3D16E23 13.66 1.22 -8.69 -1.34 0
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403348 135059828 1 N2O2C17H18 A2B2C17D18 -42.73 2.46 -8.43 -0.55 0
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403349 135059830 1 ClN2O3H17C20 AB2C3D17E20 23.1 6.77 -9.49 -1.66 0
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403350 135059842 1 S2N3H13C18 A2B3C13D18 128.33 5.2 -8.46 -1.35 0
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403351 135059846 1 ON2F3H15C25 AB2C3D15E25 -82.62 4.04 -9.12 -1.38 0
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403352 135059849 1 N2H16C19 A2B16C19 76.97 2.77 -8.4 -0.52 0
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403353 135059850 2 OSC9H13 ABC9D13 -74.21 0.53 -8.06 0.21 0
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403354 135059851 1 NS2O3H13C16 AB2C3D13E16 17.49 6.2 -9.27 -1.78 0
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403355 135059852 1 SiS2O3C26H30 AB2C3D26E30 -61.26 6.16 -8.8 -0.72 1
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403356 135059853 1 IOC5H8 ABC5D8 -30.26 3.63 0.0 0.0 -1
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403357 135059854 1 RhO2C5H7 AB2C5D7 -59.3 18.51 -11.79 -4.18 0
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403358 135059855 1 PO2C8H13 AB2C8D13 -111.11 5.82 -9.99 0.48 0
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403359 135059860 1 NO3C11H17 AB3C11D17 -141.35 3.03 -10.24 0.09 0
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403360 135059862 1 ClSiN2C13H27 ABC2D13E27 -112.18 1.66 -7.43 0.7 0
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403361 135059863 1 INO2C10H20 ABC2D10E20 -118.69 1.25 -9.38 -0.99 0
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403362 135059864 1 BrC16H17 AB16C17 85.68 2.94 -9.24 -0.65 0