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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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430456 135170520 1 N2F5C7H7 A2B5C7D7 -225.31 1.55 -9.72 -0.22 0
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430457 135170521 1 N2C9H14 A2B9C14 36.94 2.57 -9.0 0.97 0
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430458 135170522 1 NO3C12H19 AB3C12D19 -139.5 4.21 -9.73 -0.48 0
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430459 135170523 1 ClN2C7H11 AB2C7D11 -1.15 3.74 -9.66 0.61 0
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430460 135170524 1 NO3C10H15 AB3C10D15 -129.56 4.23 -9.76 -0.51 0
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430461 135170525 1 NO4C10H15 AB4C10D15 -160.66 2.4 -9.98 -0.88 0
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430462 135170526 1 ClNF3O3H15C16 ABC3D3E15F16 -264.65 6.64 -9.89 -1.0 0
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430463 135170527 1 ClNO4C7H8 ABC4D7E8 -146.65 3.3 -10.16 -1.31 0
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430464 135170528 1 NO3C12H17 AB3C12D17 -106.96 5.17 -9.7 -0.52 0
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430465 135170529 1 ClSF2N2H3C4 ABC2D2E3F4 -67.08 5.13 -10.28 -1.37 0
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430466 135170530 1 SN2C8H12 AB2C8D12 21.3 2.32 -9.5 -0.49 0
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430467 135170531 1 SN2C7H10 AB2C7D10 38.07 2.39 -9.5 -0.51 0
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430468 135170532 1 NSO3C6H9 ABC3D6E9 -78.54 4.24 -9.26 -1.0 0
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430469 135170533 1 SN2C7H10 AB2C7D10 46.37 2.08 -9.43 -0.52 0
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430470 135170534 1 ClSN2C6H7 ABC2D6E7 48.07 2.44 -9.67 -0.8 0
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430471 135170535 1 N3C13H19 A3B13C19 51.88 1.98 -8.11 0.36 0
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430472 135170536 1 N2F3H11C12 A2B3C11D12 -105.54 6.65 -9.31 0.03 0
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430473 135170537 1 NO3C11H15 AB3C11D15 -101.56 5.14 -9.7 -0.52 0
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430474 135170538 1 NO4C13H21 AB4C13D21 -188.67 5.32 -9.72 -0.7 0
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430475 135170539 1 NO4C14H15 AB4C14D15 -126.55 5.09 -9.62 -1.2 0
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430476 135170540 1 NO3C10H15 AB3C10D15 -129.87 4.69 -9.73 -0.52 0
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430477 135170541 1 NO3C13H21 AB3C13D21 -145.22 5.24 -9.64 -0.45 1
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430478 135170542 1 S2N3O6C38H46 A2B3C6D38E46 -176.24 1.37 0.0 0.0 0
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430479 135170543 1 NO4C10H15 AB4C10D15 -164.87 5.16 -9.85 -0.84 1
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430480 135170544 1 S2N3O6C46H50 A2B3C6D46E50 -133.43 5.24 0.0 0.0 0
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430481 135170545 1 NO4C13H13 AB4C13D13 -117.39 2.79 -9.48 -1.23 0
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430482 135170546 1 NO3C13H19 AB3C13D19 -112.52 2.9 -9.79 -0.49 0
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430483 135170547 1 NO3C13H21 AB3C13D21 -146.05 3.66 -9.71 -0.44 0
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430484 135170548 1 NO4C9H13 AB4C9D13 -158.89 2.92 -9.99 -0.81 0
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430485 135170549 1 NO3C9H13 AB3C9D13 -123.28 2.61 -9.86 -0.56 0
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430486 135170550 1 NO4C8H11 AB4C8D11 -151.98 4.33 -9.92 -0.92 0
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430487 135170551 1 NO2C7H11 AB2C7D11 -80.19 2.11 -9.82 -0.45 0
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430488 135170552 1 NO4C9H13 AB4C9D13 -156.17 4.56 -9.9 -0.91 0
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430489 135170553 1 NO3C11H17 AB3C11D17 -132.7 2.76 -9.82 -0.51 0
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430490 135170554 1 OC10H16 AB10C16 -51.86 0.32 -8.42 0.61 0
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430491 135170555 1 NO2C6H9 AB2C6D9 -76.77 3.56 -9.8 -0.43 0
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430492 135170556 1 NO4C5H7 AB4C5D7 -106.27 3.75 -10.12 -0.84 0
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430493 135170557 1 N3C8H13 A3B8C13 38.8 3.69 -9.42 0.6 0
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430494 135170558 1 N3C8H15 A3B8C15 20.16 1.6 -8.58 0.68 0
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430495 135170559 4 NC3H4 AB3C4 59.51 3.37 -9.4 -0.71 0
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430496 135170560 1 N3C7H11 A3B7C11 53.47 3.74 -9.33 0.55 0
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430497 135170561 1 N3C9H17 A3B9C17 14.21 1.58 -8.51 0.73 0
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430498 135170562 1 NO3C12H19 AB3C12D19 -137.18 5.98 -9.64 -0.46 0
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430499 135170563 1 F3N4H7C9 A3B4C7D9 -69.63 5.08 -10.01 -1.3 0
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430500 135170564 1 F3N4H7C9 A3B4C7D9 -70.33 2.29 -10.18 -1.32 0
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430501 135170565 1 N3C8H15 A3B8C15 15.17 3.53 -9.4 0.7 0
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430502 135170566 1 NO4C14H23 AB4C14D23 -194.56 3.91 -9.82 -0.64 0
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430503 135170569 1 N4C9H10 A4B9C10 72.85 2.93 -9.33 -0.77 0
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430504 135170570 1 NO4C9H13 AB4C9D13 -160.5 4.78 -9.9 -0.84 0
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430505 135170571 1 NO3C10H15 AB3C10D15 -128.81 4.83 -9.72 -0.52 0
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430506 135170572 1 O3N4C31H38 A3B4C31D38 -44.1 4.87 -8.54 -1.48 0
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430507 135170573 3 NC2H3 AB2C3 61.56 2.91 -9.61 0.24 0
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430508 135170574 1 N2S2H6C7 A2B2C6D7 71.64 1.68 -9.3 -1.38 0
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430509 135170575 1 ON3C6H11 AB3C6D11 -1.25 4.06 -9.61 0.51 0
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430510 135170576 1 ClNSC7H8 ABCD7E8 35.36 1.16 -9.28 -0.58 0
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430511 135170577 1 N2O3C12H18 A2B3C12D18 -83.17 1.39 -9.2 0.22 0
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430512 135170578 1 ClNO2C5H6 ABC2D5E6 -71.28 2.69 -10.15 -0.88 0
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430513 135170579 1 CaN2S2O5C56H56 AB2C2D5E56F56 11.74 4.3 -4.84 -1.19 0
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430514 135170580 1 N2S2O5C56H56 A2B2C5D56E56 -18.41 5.7 -8.63 0.07 0
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430515 135170581 1 NO4C12H19 AB4C12D19 -176.74 4.99 -9.84 -0.81 0
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430516 135170582 1 CaS2N4O5C54H54 AB2C4D5E54F54 44.52 7.33 -4.9 -1.3 0
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430517 135170583 1 S2N4O5C54H54 A2B4C5D54E54 -5.96 7.26 -8.75 -0.37 0
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430518 135170584 1 NSO4C9H13 ABC4D9E13 -148.76 4.16 -9.11 -1.04 0
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430519 135170585 1 NSC9H13 ABC9D13 12.03 3.3 -9.03 -0.09 0
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430520 135170586 1 NSC8H13 ABC8D13 7.77 3.05 -9.03 -0.08 0
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430521 135170587 1 ClNOC7H10 ABCD7E10 -20.49 1.54 -10.17 0.01 0
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430522 135170588 1 NSC9H13 ABC9D13 34.15 2.88 -9.01 -0.13 0
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430523 135170589 1 NSC8H11 ABC8D11 37.68 2.83 -9.02 -0.15 0
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430524 135170590 1 NSC8H11 ABC8D11 29.36 2.92 -9.05 -0.1 0
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430525 135170591 1 NSC7H11 ABC7D11 11.98 3.23 -9.04 -0.09 0
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430526 135170592 1 NO4C11H17 AB4C11D17 -177.63 3.98 -9.86 -0.67 0
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430527 135170593 1 NO5C8H11 AB5C8D11 -181.2 4.27 -9.84 -0.9 0
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430528 135170594 1 NO2F3C6H6 AB2C3D6E6 -224.33 4.29 -10.44 -1.4 0
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430529 135170595 1 NO3C11H17 AB3C11D17 -136.54 3.29 -9.77 -0.51 0
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430530 135170596 1 NOSC11H11 ABCD11E11 13.05 4.69 -8.83 -0.58 0