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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411579 135084411 1 NCl4H5C7 AB4C5D7 -6.25 3.93 -10.04 -1.18 0
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411580 135084412 2 NOC4H6 ABC4D6 -26.49 4.36 -8.53 -0.09 0
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411581 135084413 1 BrFO2H3N3C6 ABC2D3E3F6 -13.74 2.37 -10.57 -1.71 1
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411582 135084414 1 BrFO2N3H4C6 ABC2D3E4F6 -4.73 6.66 0.0 0.0 0
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411583 135084415 1 ClFNH9C10 ABCD9E10 -37.3 3.52 -9.35 -1.05 0
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411584 135084416 1 NO3C8H9 AB3C8D9 -55.62 3.63 -9.31 -0.44 0
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411585 135084417 1 ClN3C6H10 AB3C6D10 10.31 3.79 -10.01 -0.33 0
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411586 135084418 1 N2C11H20 A2B11C20 12.35 2.28 -8.91 0.18 0
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411587 135084419 1 BrFOC9H10 ABCD9E10 -71.14 3.69 -8.98 -0.61 0
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411588 135084420 1 Cl2O3H10C12 A2B3C10D12 -97.99 2.99 -9.91 -1.47 0
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411589 135084421 1 BrFOC11H12 ABCD11E12 -68.15 1.07 -10.02 -1.07 0
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411590 135084422 1 O2N3H9C10 A2B3C9D10 -0.49 3.57 -9.58 -1.23 0
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411591 135084423 1 ON3C12H19 AB3C12D19 155.22 5.98 -9.19 -0.22 1
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411592 135084424 1 ON3C12H20 AB3C12D20 164.44 8.05 0.0 0.0 0
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411593 135084425 1 SO2H10C13 AB2C10D13 -10.7 2.86 -9.26 -1.33 0
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411594 135084426 1 NO2C12H13 AB2C12D13 -30.14 2.55 -8.86 0.05 0
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411595 135084427 1 FSiC9H13 ABC9D13 -61.72 1.46 -8.9 0.25 0
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411596 135084428 1 FO2H11C15 AB2C11D15 -70.76 4.51 -9.49 -1.2 0
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411597 135084429 1 BrNO3C13H16 ABC3D13E16 -109.0 2.08 -9.64 -0.41 0
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411598 135084430 1 NO3C12H13 AB3C12D13 -80.99 2.72 -8.82 -0.65 0
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411599 135084431 1 NO2F3C10H10 AB2C3D10E10 -222.37 6.54 -9.82 -0.6 0
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411600 135084432 3 OC5H6 AB5C6 -103.78 5.24 -8.84 -0.47 0
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411601 135084433 2 OC7H10 AB7C10 -72.88 2.77 -8.8 0.28 0
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411602 135084434 1 OC11H18 AB11C18 -32.32 2.5 -9.52 1.05 0
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411603 135084435 1 IO2C13H13 AB2C13D13 -1.89 1.69 -9.66 -1.18 0
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411604 135084436 1 SiO3C12H24 AB3C12D24 -162.75 2.47 -9.21 1.15 0
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411605 135084437 1 O2C13H22 A2B13C22 -26.57 1.36 -9.14 0.3 0
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411606 135084438 1 OC13H20 AB13C20 -24.5 2.27 -10.17 1.71 0
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411607 135084439 1 O4C9H14 A4B9C14 -139.43 1.3 -10.62 -0.58 0
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411608 135084440 1 N2O2H12C13 A2B2C12D13 25.9 6.64 -10.1 -0.94 0
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411609 135084441 1 NO2C13H15 AB2C13D15 -15.38 3.26 -9.34 -0.17 0
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411610 135084442 1 O4C13H20 A4B13C20 -189.62 5.06 -10.06 -1.1 0
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411611 135084443 1 LiN2H5C7 AB2C5D7 30.76 5.74 -7.89 0.47 0
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411612 135084444 1 ClN2C12H15 AB2C12D15 15.24 3.64 -8.77 -0.27 0
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411613 135084445 4 OC3H5 AB3C5 -184.22 3.98 -9.62 0.18 0
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411614 135084446 1 NC11H19 AB11C19 28.68 2.0 -9.51 1.14 0
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411615 135084447 1 N3C12H17 A3B12C17 36.11 4.25 -8.32 0.06 0
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411616 135084448 1 NO2H11C13 AB2C11D13 -25.51 2.61 -9.32 -0.82 0
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411617 135084449 1 O3C10H14 A3B10C14 -108.18 2.49 -9.84 0.22 0
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411618 135084450 1 ON2C12H14 AB2C12D14 30.63 4.19 -8.83 -0.63 0
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411619 135084451 1 ON2H14C15 AB2C14D15 22.84 1.33 -8.48 -0.56 0
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411620 135084452 2 O2C5H7 A2B5C7 -151.51 5.02 -10.63 0.3 0
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411621 135084453 1 OH10C12 AB10C12 69.22 2.16 -8.62 -0.34 0
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411622 135084454 1 BrNO2C13H18 ABC2D13E18 -85.94 3.07 -9.53 -0.33 0
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411623 135084455 1 ClON2C9H9 ABC2D9E9 16.61 3.53 -8.82 -0.67 0
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411624 135084456 1 SO2C12H14 AB2C12D14 -47.56 0.99 -8.82 -0.42 0
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411625 135084457 1 BrFC9H10 ABC9D10 -39.32 2.41 -9.5 -0.65 0
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411626 135084458 1 SiO2C14H26 AB2C14D26 -151.65 2.22 -8.76 0.62 1
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411627 135084459 1 NOC12H12 ABC12D12 2.19 2.48 0.0 0.0 0
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411628 135084460 1 ZnC12H12 AB12C12 57.26 0.67 -8.73 -1.62 0
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411629 135084461 1 INOH12C13 ABCD12E13 27.28 4.13 -8.3 -0.68 0
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411630 135084462 1 ClNSO2F3H7C8 ABCD2E3F7G8 -213.28 2.73 -9.82 -1.2 0
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411631 135084463 1 N2O2C13H16 A2B2C13D16 -37.38 3.5 -8.99 -0.31 0
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411632 135084464 1 BrSiO2C13H27 ABC2D13E27 -173.18 1.53 -8.87 -0.58 0
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411633 135084465 1 OC14H16 AB14C16 -30.74 1.07 -8.5 -0.36 0
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411634 135084466 1 Br3H5C8 A3B5C8 44.91 1.94 -9.78 -1.2 0
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411635 135084467 1 O5C11H18 A5B11C18 -175.14 2.58 -10.2 1.4 0
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411636 135084468 2 OC5H9 AB5C9 -110.55 4.99 -9.78 0.59 0
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411637 135084469 1 O3C14H20 A3B14C20 -83.42 2.28 -9.45 -0.27 0
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411638 135084470 1 ON3C12H17 AB3C12D17 3.5 3.4 -8.27 -0.02 0
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411639 135084471 1 ON2C13H14 AB2C13D14 33.9 6.22 -8.65 -0.38 0
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411640 135084472 1 OC14H20 AB14C20 -39.28 2.11 -9.54 0.23 0
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411641 135084473 1 NH7C11 AB7C11 123.78 4.41 -9.64 -0.87 0
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411642 135084474 1 ON2C12H14 AB2C12D14 -8.75 7.19 -8.6 -0.25 0
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411643 135084475 1 NOSiC13H27 ABCD13E27 -98.32 2.78 -8.01 0.59 0
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411644 135084476 1 NO2H11C12 AB2C11D12 -4.69 3.47 -9.68 -0.83 0
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411645 135084477 1 NOBr2C13H17 ABC2D13E17 -16.3 5.48 -8.92 -0.38 0
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411646 135084478 1 NSO2H11C12 ABC2D11E12 48.9 5.65 -9.89 -0.55 0
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411647 135084479 1 ClNSO3C8H10 ABCD3E8F10 -74.72 5.54 -9.62 -0.71 0
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411648 135084480 1 BBrZnO2C9H18 ABCD2E9F18 -178.7 5.96 -9.35 -0.47 0
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411649 135084481 1 ClN3H8C12 AB3C8D12 86.08 3.47 -8.66 -1.1 0
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411650 135084482 1 OPC14H25 ABC14D25 -83.7 4.21 -9.55 1.0 0
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411651 135084483 1 BrNOF2H8C12 ABCD2E8F12 -84.74 1.68 -10.03 -0.84 0
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411652 135084484 1 IO2C13H17 AB2C13D17 -71.19 3.48 -9.77 -0.78 0
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411653 135084485 2 NOC6H7 ABC6D7 -41.47 1.37 -8.23 -0.01 0