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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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10381 101371 1 O3C18H20 A3B18C20 -95.54 2.92 -8.95 -0.12 0
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10382 101386 1 O3H10C14 A3B10C14 -63.44 6.42 -10.25 -1.21 0
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10383 101389 1 PSN3O9H12C18 ABC3D9E12F18 -125.93 3.92 -10.73 -2.12 0
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10384 101390 2 NOC4H5 ABC4D5 -36.71 2.26 -9.3 -0.08 0
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10385 101391 1 ClO2N3C4H8 AB2C3D4E8 -48.39 2.03 -10.1 -0.7 0
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10386 101400 1 OSN4C7H8 ABC4D7E8 33.9 3.09 -9.37 -1.14 0
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10387 101405 4 OC2H2 AB2C2 -109.62 0.38 -10.05 -1.88 0
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10388 101408 1 PN2O2C5H15 AB2C2D5E15 -150.67 1.94 -9.18 1.12 0
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10389 101413 2 PSN3C6H12 ABC3D6E12 -9.94 7.1 -8.97 0.56 0
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10390 101414 1 OPN3C10H14 ABC3D10E14 -14.12 2.85 -8.66 0.38 0
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10391 101415 1 N3C12H19 A3B12C19 51.03 3.38 -8.2 0.0 0
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10392 101416 1 N3C12H19 A3B12C19 44.48 3.11 -8.31 -0.05 0
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10393 101417 1 N3C14H23 A3B14C23 37.71 3.14 -8.29 -0.02 0
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10394 101423 2 NO2H6C9 AB2C6D9 59.0 0.03 -10.03 -1.72 0
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10395 101424 2 NSeO2H4C6 ABC2D4E6 50.66 0.18 -9.11 -2.43 0
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10396 101427 2 O3N4C11H18 A3B4C11D18 -187.72 2.8 -8.16 -0.96 0
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10397 101428 2 O2N4C9H16 A2B4C9D16 -109.69 3.07 -7.87 -0.69 0
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10398 101431 1 SN2O4C9H12 AB2C4D9E12 -147.58 5.68 -9.57 -0.97 0
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10399 101432 1 NO5H13C15 AB5C13D15 -59.09 5.18 -9.12 -1.52 0
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10400 101434 1 O2N5C7H9 A2B5C7D9 -8.54 3.18 -10.07 -1.4 0
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10401 101437 1 NO4C10H11 AB4C10D11 -147.78 7.31 -8.86 -0.41 0
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10402 101438 1 ON2H6C7 AB2C6D7 16.1 1.05 -8.74 -0.54 0
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10403 101442 1 SO3N7C10H11 AB3C7D10E11 -26.9 7.12 -9.08 -1.44 0
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10404 101446 2 ON2C5H6 AB2C5D6 -31.9 3.83 -9.14 -0.58 0
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10405 101455 1 NO3C7H9 AB3C7D9 -86.3 5.3 -10.2 -0.83 0
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10406 101459 1 S2N3C4H7 A2B3C4D7 49.83 2.35 -8.64 -0.9 0
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10407 101460 1 BrON2C7H7 ABC2D7E7 0.5 3.3 -9.63 -0.86 0
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10408 101461 1 BrNO4C12H16 ABC4D12E16 -134.99 4.36 -8.97 -0.5 0
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10409 101463 2 N2C3H3 A2B3C3 64.91 0.01 -8.96 -0.24 0
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10410 101464 1 OSN2H10C13 ABC2D10E13 14.09 2.9 -8.29 -0.46 0
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10411 101466 1 ON2C9H10 AB2C9D10 10.6 3.52 -9.89 -0.7 0
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10412 101469 1 NBr2H3O3C6 AB2C3D3E6 -13.35 4.58 -10.0 -1.54 0
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10413 101470 1 ClNBr2O2H6C10 ABC2D2E6F10 -51.51 2.88 -9.37 -1.76 0
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10414 101478 1 NSC8H9 ABC8D9 38.11 2.41 -9.07 -0.25 0
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10415 101480 1 SN2O2C11H18 AB2C2D11E18 -63.32 6.7 -8.91 -0.33 0
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10416 101483 2 NOC4H5 ABC4D5 -63.68 3.05 -8.79 0.1 0
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10417 101524 1 Cl2N4O7C33H34 A2B4C7D33E34 -233.2 7.04 -8.39 -1.49 0
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10418 101550 1 OC8H12 AB8C12 -35.84 3.24 -9.72 0.46 0
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10419 101570 1 NC16H20 AB16C20 68.57 3.75 0.0 0.0 1
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10420 101581 1 OC40H58 AB40C58 -2.87 2.62 -8.1 0.04 0
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10421 101582 1 NO3C20H39 AB3C20D39 -196.85 3.74 -9.68 1.04 0
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10422 101584 1 ClN2O5C22H33 AB2C5D22E33 -251.26 4.64 -8.36 0.06 0
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10423 101605 1 N2Cl3C18H23 A2B3C18D23 -31.55 2.93 -8.94 -0.55 0
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10424 101609 1 PN2C9O9H13 AB2C9D9E13 -443.58 5.08 -10.55 -1.15 0
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10426 101636 1 N2H12C19 A2B12C19 104.51 3.61 -8.29 -1.06 0
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10428 101672 1 ClF2C3H5 AB2C3D5 -129.59 2.45 -11.07 0.22 0
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10429 101682 1 N2O3C21H22 A2B3C21D22 68.47 5.72 -8.8 -0.03 0
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10430 101809 1 NO3C24H25 AB3C24D25 -46.56 3.12 -8.49 0.0 0
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10431 101813 1 ClNO2C15H20 ABC2D15E20 -102.87 2.5 -9.0 -0.62 0
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10432 101839 2 OC10H19 AB10C19 -160.51 1.62 -9.57 0.83 0
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10434 101874 1 NC12H14 AB12C14 27.35 1.74 0.0 0.0 1
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10435 101892 1 H10C13 A10B13 87.1 0.68 -8.02 -0.87 0
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10436 101900 1 NOC23H33 ABC23D33 -59.51 4.84 -7.68 0.85 0
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10437 101921 1 OC9H18 AB9C18 -90.67 2.06 -10.22 2.81 0
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10438 101932 1 IN2C23H23 AB2C23D23 88.17 14.29 -6.83 -1.75 0
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10439 101964 1 O2C21H28 A2B21C28 -92.98 4.35 -9.77 -0.24 0
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10440 101981 1 NaC7H7 AB7C7 18.78 8.47 -6.12 0.32 0
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10441 102018 1 P2C3O9H10 A2B3C9D10 -535.28 1.99 -10.95 -0.02 0
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10444 102107 1 CaSe AB 18.6 11.31 -6.78 -2.16 0
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10445 102145 2 NC12H17 AB12C17 9.34 0.21 -8.85 0.49 0
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10446 102188 1 ON2C18H22 AB2C18D22 27.42 3.95 -8.78 -0.14 0
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10447 102189 1 SN3O5H11C13 AB3C5D11E13 -14.93 11.75 -9.36 -1.35 0
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10448 102192 1 O2C19H30 A2B19C30 -127.08 1.56 -9.26 1.27 0
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10449 102205 1 O4C23H34 A4B23C34 -220.03 1.38 -9.25 0.85 0
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10450 102224 1 O3C27H44 A3B27C44 -126.66 5.57 -9.83 -0.18 0
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10451 102227 12 CHO ABC -522.09 0.68 -11.47 -0.9 0
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10453 102252 1 N2S2C17H38 A2B2C17D38 -50.57 5.16 -8.5 -0.36 0
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10455 102295 1 OSi2C18H22 AB2C18D22 -63.39 0.68 -9.21 0.2 0
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10456 102325 1 O2C25H48 A2B25C48 -176.47 1.89 -9.44 0.8 0
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10457 102339 1 PN2S2O4C9H19 AB2C2D4E9F19 -267.36 3.47 -9.58 -1.09 0
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10458 102343 1 NO3C20H21 AB3C20D21 -58.11 3.95 -8.8 -0.84 0
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10459 102370 1 N2S2C13H21 A2B2C13D21 19.95 5.41 0.0 0.0 1
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10460 102377 2 NO2C7H11 AB2C7D11 -176.71 0.54 -9.55 -1.58 0
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10461 102400 1 NOC8H9 ABC8D9 27.94 4.06 -9.22 -0.2 0
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10462 102405 1 O3C22H32 A3B22C32 -101.26 6.23 -8.62 -0.14 0
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10463 102406 2 O2C12H17 A2B12C17 -152.21 7.86 -8.53 -0.01 0
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10464 102407 1 N2O3C24H46 A2B3C24D46 -187.79 2.11 -9.09 0.53 0
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10465 102424 1 C6O7H10 A6B7C10 -293.27 0.79 -10.59 -1.84 0
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10466 102425 1 OC10H18 AB10C18 -87.23 2.19 -10.05 2.83 0
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10467 102456 1 N2O3C14H14 A2B3C14D14 -96.3 5.28 -8.85 -0.69 0
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10468 102462 1 OC13H22 AB13C22 -87.13 2.1 -8.92 1.52 0
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10469 102477 1 ON2H18C19 AB2C18D19 15.37 3.45 -8.46 -0.37 0
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10470 102489 1 ON2C10H12 AB2C10D12 -20.66 2.86 -8.72 0.1 0
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10471 102545 1 OSC3H8 ABC3D8 -62.81 3.19 -8.87 0.51 0
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10472 102559 1 BC12H27 AB12C27 -73.7 0.23 -9.45 0.57 0
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10473 102602 1 FeOC14H16 ABC14D16 -0.3 1.73 -8.83 -0.72 0
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10474 102603 1 OC9H12 AB9C12 -25.86 3.86 -9.49 -0.36 0
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10475 102607 3 OC6H12 AB6C12 -218.72 6.8 -10.58 1.04 0
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10476 102615 1 O5C39H76 A5B39C76 -385.08 3.4 -10.46 0.51 0
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10477 102617 1 NS2C5H9 AB2C5D9 13.01 2.18 -9.15 -0.41 0
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10478 102627 1 NO2Br3F3H3C4 AB2C3D3E3F4 -236.35 3.44 -11.1 -1.9 0
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10479 102649 1 FO2H7C8 AB2C7D8 -107.56 3.84 -10.04 -0.34 0
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10480 102651 2 N3O3C6H8 A3B3C6D8 -65.04 5.69 -9.77 -2.03 0
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10481 102652 1 OC15H28 AB15C28 -53.82 1.67 -10.34 1.26 0
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10482 102653 1 ON2C21H30 AB2C21D30 -28.69 3.09 -8.35 -0.54 0
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10483 102678 2 ClN5C13H29 AB5C13D29 -84.87 3.29 -9.38 0.64 0
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10484 102679 2 O3H4C6 A3B4C6 -211.19 4.44 -11.47 -0.84 0
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10485 102703 3 OC2H4 AB2C4 -160.96 2.81 -10.63 0.73 0
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10486 102721 4 OC3H4 AB3C4 -154.26 5.52 -9.32 -0.46 0
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10487 102735 1 ON2C19H26 AB2C19D26 -19.56 3.96 -8.81 0.45 0