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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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51555 12014246 1 O3C16H32 A3B16C32 -170.67 4.29 -8.98 1.18 0
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51556 12014247 1 BrNO2C8H12 ABC2D8E12 -46.67 1.41 -10.16 -0.52 0
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51557 12014248 1 ClNO3H10C12 ABC3D10E12 -107.71 8.93 -9.24 -1.1 0
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51558 12014250 1 N3O6H13C18 A3B6C13D18 -148.91 9.38 -9.54 -1.99 0
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51559 12014251 1 O2N3F6H7C16 A2B3C6D7E16 -302.88 11.82 -9.74 -2.23 0
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51560 12014252 1 O5C35H42 A5B35C42 -122.26 1.52 -9.3 0.12 0
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51561 12014253 1 O3C25H34 A3B25C34 -87.32 2.0 -9.26 0.4 0
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51562 12014254 1 O3C23H30 A3B23C30 -52.44 1.57 -9.29 0.4 0
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51563 12014255 1 O3C27H38 A3B27C38 -74.61 2.77 -9.43 0.26 0
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51564 12014256 1 O2C15H20 A2B15C20 -59.67 2.18 -9.41 0.31 0
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51565 12014257 1 O2C13H16 A2B13C16 -32.61 2.6 -9.62 0.05 0
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51566 12014258 1 O2C17H24 A2B17C24 -56.13 1.68 -9.59 0.16 0
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51567 12014259 1 N2O5C10H18 A2B5C10D18 -209.83 4.25 -9.7 0.59 -1
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51571 12014263 1 BGeN9C15H23 ABC9D15E23 168.1 3.99 0.0 0.0 -4
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51572 12014264 1 BGeC15N15H22 ABC15D15E22 364.66 9.53 -7.2 -2.23 0
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51580 12014273 1 ClRhP2O8C48H48 ABC2D8E48F48 55.07 24.23 -8.68 -3.08 0
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51581 12014274 2 OSC4H7 ABC4D7 -86.39 2.14 -8.67 0.0 0
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51582 12014275 1 BrClOSN2H10C12 ABCDE2F10G12 1.96 7.71 -9.48 -0.96 0
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51583 12014276 1 BrClOSN2H10C12 ABCDE2F10G12 1.48 7.2 -9.54 -1.04 0
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51584 12014277 1 BrClOSN2H10C12 ABCDE2F10G12 1.43 6.7 -9.55 -1.04 0
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51585 12014279 1 OSBr2N2H10C12 ABC2D2E10F12 13.51 7.21 -9.54 -1.04 0
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51586 12014280 1 OSBr2N2H10C12 ABC2D2E10F12 13.43 6.71 -9.56 -1.07 0
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51587 12014283 1 BrSN3O3H10C12 ABC3D3E10F12 6.74 6.99 -9.73 -1.76 0
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51588 12014284 1 SO2N4H8C11 AB2C4D8E11 48.39 5.9 -9.44 -1.48 0
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51589 12014285 1 OS2N4H8C11 AB2C4D8E11 113.78 5.26 -9.24 -2.02 0
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51590 12014287 1 OS3N6H12C17 AB3C6D12E17 181.06 9.06 -9.37 -2.21 0
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51591 12014288 1 OSN7H13C18 ABC7D13E18 164.82 6.3 -9.24 -1.7 0
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51592 12014289 1 OSN6H18C21 ABC6D18E21 149.47 3.72 -8.52 -1.46 0
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51593 12014290 1 S2N5H11C17 A2B5C11D17 215.79 6.23 -8.99 -1.62 0
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51594 12014291 1 SO2N6H14C21 AB2C6D14E21 136.15 4.18 -9.8 -1.8 0
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51595 12014292 1 SO4N7H13C21 AB4C7D13E21 132.85 4.96 -10.18 -2.05 0
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51596 12014294 1 OS2N5H13C18 AB2C5D13E18 121.37 10.7 -8.71 -1.11 0
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51597 12014295 1 OSN6H14C18 ABC6D14E18 120.26 10.53 -8.67 -1.0 -2
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51598 12014296 2 NOZnSi3C15H40 ABCD3E15F40 -476.92 4.4 -8.7 -0.98 -2
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51599 12014297 2 NOZnSi3C12H34 ABCD3E12F34 -429.95 4.18 -7.49 -0.36 0
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51600 12014298 4 OSiZnC4H12 ABCD4E12 -298.2 5.58 -9.12 -1.7 -4
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51602 12014300 2 INH7C11 ABC7D11 147.52 0.35 -9.11 -1.34 0
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51603 12014301 2 NSiC18H18 ABC18D18 217.27 3.38 -8.2 -1.05 0
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51604 12014302 2 NSiC14H16 ABC14D16 34.28 0.05 -8.51 -1.0 0
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51605 12014303 2 OCl3H6C7 AB3C6D7 -80.21 3.2 -9.78 -0.66 0
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51606 12014306 2 Cl3H4C6 A3B4C6 -0.6 3.93 -9.91 -0.58 0
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51607 12014307 2 N2O4C23H28 A2B4C23D28 -221.06 6.0 -7.68 -0.55 0
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51608 12014308 3 N2O4C23H28 A2B4C23D28 -64.69 5.27 -7.82 -0.67 0
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51612 12014312 1 O4H16C17 A4B16C17 -128.02 8.16 -8.95 -1.26 0
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51613 12014313 1 SO2C20H26 AB2C20D26 -60.89 5.37 -8.16 -0.13 0
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51614 12014314 1 SO2C17H26 AB2C17D26 -95.39 4.22 -8.27 -0.04 0
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51615 12014315 1 SO2C14H22 AB2C14D22 -90.01 3.79 -8.3 -0.03 0
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51616 12014316 1 SO2C13H20 AB2C13D20 -83.18 3.09 -8.32 -0.12 0
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51617 12014317 1 SO3C19H24 AB3C19D24 -101.64 4.16 -9.54 -0.57 0
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51618 12014318 1 SO3C16H24 AB3C16D24 -135.39 5.45 -10.21 -0.55 0
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51619 12014319 1 SO3C13H20 AB3C13D20 -132.83 3.91 -10.19 -0.54 0
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51620 12014321 1 SO3C12H18 AB3C12D18 -126.98 6.01 -10.24 -0.6 0
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51621 12014322 1 SSiO3C37H38 ABC3D37E38 -57.35 6.84 -8.92 -0.52 0
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51622 12014323 1 SO2H22C25 AB2C22D25 12.75 3.82 -8.74 -0.09 0
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51623 12014324 1 SO2C22H26 AB2C22D26 -31.36 4.08 -8.64 0.08 0
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51624 12014325 1 SO3C20H24 AB3C20D24 -52.8 5.62 -8.52 0.0 0
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51626 12014327 1 NOC24H36 ABC24D36 -20.13 6.18 0.0 0.0 0
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51629 12014331 1 NOSC22H34 ABCD22E34 -27.55 14.11 0.0 0.0 0
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51630 12014333 1 BNO2C44H58 ABC2D44E58 -13.26 15.1 -7.78 -2.02 0
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51632 12014335 1 NPO3H24C35 ABC3D24E35 67.13 6.76 -8.95 -1.43 0
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51633 12014336 1 NOPH24C36 ABCD24E36 103.29 5.2 -8.82 -1.0 0
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51634 12014337 1 PO2H27C36 AB2C27D36 33.2 6.63 -8.61 -0.74 0
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51635 12014338 1 OPH25C35 ABC25D35 71.78 4.33 -8.6 -0.77 0
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51636 12014339 1 FOPH24C35 ABCD24E35 25.17 4.69 -8.71 -0.82 0
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51637 12014341 1 NO3H15C23 AB3C15D23 127.25 6.39 -9.54 -1.71 0
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51638 12014342 1 NOH15C24 ABC15D24 165.52 3.97 -9.34 -1.13 0
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51639 12014343 2 OH9C12 AB9C12 91.41 4.22 -8.58 -0.47 0
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51640 12014345 1 NOH21C25 ABC21D25 131.24 5.04 -8.05 -0.38 0
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51641 12014346 1 ON4H20C25 AB4C20D25 107.85 2.69 -8.28 -1.26 0
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51642 12014347 1 O3N4H26C28 A3B4C26D28 5.73 5.61 -8.13 -0.87 0
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51643 12014348 4 H4C7 A4B7 223.85 0.01 -8.97 -0.74 0
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51644 12014349 4 OH6C8 AB6C8 73.87 0.24 -8.06 -0.16 0
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51645 12014350 4 OH7C8 AB7C8 -29.99 0.11 -7.95 0.06 0
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51646 12014351 1 NSO6H21C27 ABC6D21E27 -119.67 1.28 -9.54 -1.06 0
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51647 12014352 1 NSBr2O6H19C27 ABC2D6E19F27 -115.06 3.82 -9.68 -1.31 0
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51648 12014353 1 O3C22H22 A3B22C22 -83.62 7.41 -9.46 -0.83 0
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51649 12014354 1 O3C16H18 A3B16C18 -111.21 8.11 -9.98 -0.83 0
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51650 12014356 1 NOSH19C22 ABCD19E22 39.84 2.96 -8.5 -0.29 0
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51651 12014357 1 NO2C19H21 AB2C19D21 -38.78 3.97 -9.31 0.19 0
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51652 12014358 1 NO2C19H21 AB2C19D21 -38.79 3.95 -9.31 0.19 0
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51653 12014360 1 O3C16H18 A3B16C18 -108.49 5.2 -9.79 -0.74 0
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51654 12014361 1 O3C22H22 A3B22C22 -81.72 7.52 -9.56 -0.92 0
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51655 12014362 1 O3C16H16 A3B16C16 -77.26 7.97 -10.0 -0.88 0
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51656 12014363 1 ON2C20H24 AB2C20D24 6.41 4.22 -9.13 0.32 0
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51657 12014364 1 ON2C20H24 AB2C20D24 6.41 4.22 -9.13 0.32 0
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51658 12014365 1 NO2C24H27 AB2C24D27 -32.45 2.78 -9.24 0.27 0
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51659 12014366 1 NO2C24H27 AB2C24D27 -25.64 2.61 -9.28 0.25 0
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51660 12014367 1 NOH21C23 ABC21D23 70.76 3.51 -9.33 -0.05 0
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51661 12014368 1 NOH21C23 ABC21D23 48.91 3.27 -9.2 0.01 0
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51662 12014369 1 NOC31H31 ABC31D31 55.71 2.94 -9.3 -0.15 0
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51663 12014371 1 NO2C32H35 AB2C32D35 -33.01 1.59 -9.13 0.09 0
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51664 12014372 1 NOC25H25 ABC25D25 61.84 3.35 -9.28 0.19 0
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51665 12014373 1 NO2C26H29 AB2C26D29 -23.9 2.94 -9.13 0.02 0
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51666 12014374 1 NO2C32H35 AB2C32D35 -28.73 2.28 -9.02 0.22 0
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51667 12014375 1 BrNOC31H32 ABCD31E32 5.63 2.2 -9.36 -0.61 0
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51668 12014376 1 BrNOC25H26 ABCD25E26 6.39 2.99 -9.3 -0.6 0
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51669 12014378 1 NOC31H31 ABC31D31 56.94 3.32 -9.18 0.14 0
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51670 12014379 1 NOC19H27 ABC19D27 -19.55 3.8 -8.91 0.39 0
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51671 12014380 1 NOC27H27 ABC27D27 23.89 2.75 -8.94 0.12 0
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51672 12014381 1 NOH25C26 ABC25D26 31.11 3.4 -8.84 0.26 0