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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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388516 134989372 1 NC18H33 AB18C33 -35.7 4.1 -9.64 1.28 0
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388517 134989373 2 NO2C6H7 AB2C6D7 -110.42 1.68 -9.52 -0.94 0
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388518 134989374 1 O3C12H16 A3B12C16 -121.79 5.72 -10.15 0.4 0
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388519 134989376 1 AuN2S4C11H23 AB2C4D11E23 6.43 10.67 -7.66 -1.92 0
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388520 134989377 1 NPO4C12H24 ABC4D12E24 -261.95 5.3 -9.19 0.51 0
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388521 134989378 1 NSO2C11H15 ABC2D11E15 -40.56 3.43 -9.21 -0.77 0
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388522 134989379 1 FSN3C9H12 ABC3D9E12 2.24 6.24 -8.5 -0.53 0
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388523 134989380 1 SN4C11H14 AB4C11D14 87.39 3.97 -9.07 -1.44 0
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388524 134989381 1 ClN2H11C14 AB2C11D14 72.47 5.79 -9.95 -1.22 0
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388525 134989382 1 ClSeO4C8H11 ABC4D8E11 -0.67 13.62 -10.08 -3.09 0
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388526 134989383 1 NO4H11C13 AB4C11D13 -99.25 2.11 -10.46 -2.12 0
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388527 134989384 1 NC11H17 AB11C17 17.48 2.07 -9.17 -0.05 0
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388528 134989392 1 FO2C11H17 AB2C11D17 -117.11 6.69 -11.22 -0.21 0
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388529 134989399 1 NSSeC11H11 ABCD11E11 59.88 2.98 -8.35 -0.49 0
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388530 134989403 1 NSiC12H15 ABC12D15 24.62 3.88 -9.37 -0.25 0
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388531 134989407 1 NO2C13H15 AB2C13D15 -69.58 5.69 -9.6 0.02 0
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388532 134989410 1 ClN2O2H9C11 AB2C2D9E11 24.43 7.62 -9.8 -1.55 0
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388533 134989411 1 OSeBr2H8C13 ABC2D8E13 13.09 3.09 -8.78 -2.51 0
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388534 134989412 1 NO2H11C12 AB2C11D12 -35.61 4.22 -9.0 -1.14 0
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388535 134989413 1 NO2H13C15 AB2C13D15 -6.12 2.13 -8.44 -0.76 0
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388536 134989414 1 O3H12C13 A3B12C13 -92.62 6.38 -8.73 -0.64 0
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388537 134989423 2 O2C5H8 A2B5C8 -185.42 1.89 -10.52 -0.23 0
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388538 134989427 1 ClSN2O2C10H11 ABC2D2E10F11 20.41 5.04 -9.23 -1.8 0
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388539 134989428 1 NS2O3C10H11 AB2C3D10E11 -83.07 5.08 -9.49 -0.47 0
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388540 134989433 1 NO2C13H19 AB2C13D19 -94.92 2.44 -9.56 0.17 0
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388541 134989437 2 N2O2H4C5 A2B2C4D5 -31.08 5.34 -10.0 -1.79 0
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388542 134989438 1 SN2O3C11H16 AB2C3D11E16 -130.86 4.1 -8.88 -0.38 0
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388544 134989444 1 ClO2C12H13 AB2C12D13 -84.26 5.65 -9.57 -0.34 0
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388545 134989450 2 NOC7H12 ABC7D12 -93.44 2.71 -9.55 0.59 0
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388546 134989455 1 NCl2O3C11H11 AB2C3D11E11 -114.17 1.98 -9.38 -0.63 0
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388547 134989470 1 NO3C7H15 AB3C7D15 -155.53 2.23 -9.86 0.61 0
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388548 134989477 1 NSiC16H17 ABC16D17 41.69 5.04 -8.78 -0.41 0
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388549 134989478 1 ClPN2S2C8H18 ABC2D2E8F18 25.11 4.83 -7.83 -0.3 0
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388550 134989482 2 OC5H8 AB5C8 -99.74 4.85 -9.48 1.11 0
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388551 134989483 1 KPO2H10C13 ABC2D10E13 -86.28 12.91 -7.66 -0.08 0
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388552 134989497 1 NO4C12H17 AB4C12D17 -134.77 2.75 -9.17 -0.49 0
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388553 134989499 1 ClSO3N4H5C7 ABC3D4E5F7 -37.94 2.55 -10.45 -1.76 0
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388554 134989502 1 O4C13H18 A4B13C18 -147.76 3.9 -10.29 -0.3 0
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388555 134989504 1 O3C12H20 A3B12C20 -163.89 4.63 -10.02 0.83 0
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388556 134989505 1 NO2C12H23 AB2C12D23 -107.55 3.01 -8.71 1.12 0
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388557 134989506 1 NSO3C5H7 ABC3D5E7 -76.22 3.03 -9.32 -1.08 0
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388558 134989507 1 NO3C9H17 AB3C9D17 -137.82 3.35 -9.74 0.44 0
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388559 134989508 1 PdO4Si4N8C56H72 AB4C4D8E56F72 282.53 18.19 -6.46 -2.09 0
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388560 134989510 2 O2N4H37C46 A2B4C37D46 330.05 8.33 -7.52 -2.17 0
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388561 134989513 2 N8C40H73 A8B40C73 -11.27 5.02 -7.2 -1.45 0
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388562 134989518 1 SO3C10H18 AB3C10D18 -169.73 5.09 -9.33 -0.52 0
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388563 134989519 1 ON2C13H18 AB2C13D18 -13.84 3.95 -9.32 0.32 0
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388564 134989520 1 ON2C12H24 AB2C12D24 -67.89 3.83 -9.28 0.9 0
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388565 134989521 1 NSCl3C5H8 ABC3D5E8 -10.62 2.51 -9.51 -0.59 0
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388566 134989522 1 Cl2O2C5H6 A2B2C5D6 -92.91 2.34 -10.12 -0.97 0
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388567 134989523 1 NO2C14H17 AB2C14D17 -59.61 6.02 -9.69 -0.06 0
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388568 134989524 2 OC8H8 AB8C8 -42.04 2.85 -8.85 -0.76 0
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388569 134989528 1 ClNSO4H10C11 ABCD4E10F11 68.42 14.72 -9.15 -2.9 0
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388570 134989531 1 N2C13H20 A2B13C20 36.1 1.41 -8.55 -0.12 0
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388571 134989532 1 ON6H8C11 AB6C8D11 85.48 3.25 -10.33 -1.75 0
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388572 134989533 1 IN2C11H13 AB2C11D13 50.11 11.05 -7.95 -1.05 1
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388573 134989534 1 N2C11H13 A2B11C13 49.51 1.95 0.0 0.0 0
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388574 134989535 1 N3C11H19 A3B11C19 26.08 2.52 -8.01 0.04 0
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388575 134989537 1 ClO4C14H15 AB4C14D15 -160.14 2.83 -9.52 -0.73 0
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388576 134989538 1 IO3C13H23 AB3C13D23 -153.75 4.03 -9.92 -1.08 0
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388577 134989539 1 BrO3C10H15 AB3C10D15 -145.27 4.94 -10.39 -1.02 0
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388578 134989540 2 O2C5H9 A2B5C9 -200.22 1.53 -9.8 0.34 0
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388579 134989541 1 N3O3C12H23 A3B3C12D23 -100.24 4.41 -10.27 -0.37 0
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388580 134989543 1 NO2C11H19 AB2C11D19 -98.64 5.48 -10.85 0.66 0
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388581 134989546 2 N4C70H113 A4B70C113 -65.73 12.71 -7.9 -2.02 0
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388582 134989549 1 O4N8H25F35C53 A4B8C25D35E53 -1557.28 4.68 -8.07 -2.18 0
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388583 134989550 1 FeN8H40C72 AB8C40D72 585.79 0.81 -7.97 -1.94 0
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388584 134989552 1 FeN8H56C64 AB8C56D64 432.92 6.88 -8.34 -1.89 0
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388585 134989554 1 FeO2N10C114H154 AB2C10D114E154 235.38 13.95 -8.29 -1.64 0
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388586 134989555 1 MgN8C96H96 AB8C96D96 685.95 15.5 -7.71 -2.54 0
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388587 134989557 1 SiN2C13H14 AB2C13D14 59.09 5.5 -10.15 -0.85 0
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388588 134989558 1 ClNO2C13H16 ABC2D13E16 -39.46 3.02 -9.91 -0.6 0
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388589 134989564 1 NO4C13H17 AB4C13D17 -160.56 3.14 -9.74 0.01 0
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388590 134989565 1 BNO2C12H17 ABC2D12E17 -83.77 1.25 0.0 0.0 0
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388591 134989566 1 ClS2O4H5C7 AB2C4D5E7 58.61 10.1 -9.56 -3.6 0
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388592 134989569 1 ON2H8C14 AB2C8D14 133.98 7.74 -10.21 -1.27 0
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388593 134989571 1 NCl2H9C14 AB2C9D14 47.76 2.64 -8.57 -0.8 0
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388594 134989573 2 COH2N3 ABC2D3 92.38 3.55 -9.41 -1.81 0
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388595 134989578 2 FOC6H10 ABC6D10 -226.46 4.22 -10.48 0.86 0
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388596 134989579 1 IO2C10H15 AB2C10D15 -73.61 4.56 -10.12 -1.28 0
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388597 134989582 1 SiO3C11H18 AB3C11D18 -99.15 2.74 -10.2 0.32 0
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388598 134989587 1 MnNa4S4N8H12O12C32 AB4C4D8E12F12G32 -312.28 28.21 0.0 0.0 0
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388599 134989590 1 OVCl8H8N8C32 ABC8D8E8F32 310.39 3.21 0.0 0.0 0
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388600 134989594 1 ZnO8N12H44C48 AB8C12D44E48 417.31 5.21 -7.62 -3.33 0
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388601 134989596 1 CuS8N16O16C64H88 AB8C16D16E64F88 0.33 13.53 0.0 0.0 0
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388602 134989601 1 FNSiC12H14 ABCD12E14 -23.32 2.59 -9.48 -0.38 0
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388603 134989609 1 BrO3C7H11 AB3C7D11 -154.39 5.43 -10.77 -1.16 0
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388605 134989612 1 NiO4N8C124H136 AB4C8D124E136 726.16 5.36 -7.28 -3.73 0
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388606 134989621 1 ClSSeO4H7C11 ABCD4E7F11 74.66 14.12 -9.44 -3.26 0
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388607 134989634 1 N3C7H7 A3B7C7 71.16 1.73 -11.02 0.11 0
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388608 134989638 1 NF3O3C10H12 AB3C3D10E12 -280.67 4.99 -10.5 -0.8 0
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388609 134989648 1 ON3C15H25 AB3C15D25 -29.15 6.86 -8.39 -0.06 0
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388610 134989649 1 TeCl2C14H16 AB2C14D16 -11.65 3.46 -9.34 -1.62 0
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388611 134989655 1 NO2C15H15 AB2C15D15 -23.21 0.55 -8.97 -0.14 0
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388612 134989657 4 OC3H3 AB3C3 -129.67 4.22 -9.43 -0.62 0
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388613 134989659 2 NH4O4C5 AB4C4D5 -145.44 6.63 -10.9 -2.18 0
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388614 134989662 1 OSN4H8C12 ABC4D8E12 111.53 7.97 -9.03 -1.75 1
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388615 134989665 1 ClOC9H12 ABC9D12 -49.21 1.36 0.0 0.0 0
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388616 134989666 1 NO5H11C12 AB5C11D12 -132.02 7.9 -9.31 -1.62 0
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388617 134989667 1 ClH4N5C6 AB4C5D6 129.29 5.01 -10.28 -1.83 0