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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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449481 135298969 1 NOC17H23 ABC17D23 -3.94 2.52 -9.17 -0.76 0
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449482 135298973 1 NO2C18H25 AB2C18D25 -67.37 2.59 -9.54 -1.15 0
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449483 135298981 2 OC12H13 AB12C13 -39.5 1.29 -8.28 0.39 0
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449484 135299003 1 ClSO2F3N7H23C25 ABC2D3E7F23G25 -104.29 9.5 -8.35 -1.6 0
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449485 135299014 1 FON5H28C31 ABC5D28E31 68.97 3.3 -8.33 -1.73 0
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449486 135299022 1 FN8H21C26 AB8C21D26 177.65 9.73 -8.58 -2.17 0
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449487 135299025 1 FON8H23C28 ABC8D23E28 116.57 8.74 -8.57 -2.15 0
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449488 135299041 1 F3N8H23C29 A3B8C23D29 63.47 7.96 -8.72 -2.32 0
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449489 135299042 1 FN8H29C31 AB8C29D31 157.35 7.13 -8.7 -2.31 0
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449490 135299053 1 FON9H28C31 ABC9D28E31 120.84 9.43 -8.59 -2.17 0
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449491 135299058 1 FON8H25C28 ABC8D25E28 137.08 4.28 -8.66 -2.25 0
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449492 135299065 1 ON8H22C27 AB8C22D27 168.79 10.33 -8.48 -2.11 0
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449493 135299067 1 N7H19C25 A7B19C25 214.83 9.19 -8.52 -2.15 0
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449494 135299074 1 N8H24C27 A8B24C27 208.43 10.83 -8.47 -2.09 0
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449495 135299075 1 N8H24C27 A8B24C27 221.31 5.83 -8.6 -2.21 0
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449496 135299076 2 N4H14C15 A4B14C15 209.93 4.83 -8.54 -2.16 0
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449497 135299088 1 N8H30C31 A8B30C31 205.87 6.82 -8.62 -2.23 0
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449498 135299092 1 N7H21C24 A7B21C24 196.59 7.97 -8.56 -2.16 0
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449499 135299093 1 N7H23C24 A7B23C24 180.59 8.24 -8.52 -2.12 0
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449500 135299101 1 ON7H23C31 AB7C23D31 208.87 6.33 -8.7 -2.27 0
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449501 135299103 1 ON8H26C29 AB8C26D29 181.32 9.3 -8.54 -2.15 0
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449502 135299120 1 O2N5H23C27 A2B5C23D27 96.91 6.66 -8.22 -1.62 0
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449503 135299124 1 ON7H19C26 AB7C19D26 129.94 9.11 -8.79 -1.47 0
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449504 135299135 1 ISN2O5H11C14 ABC2D5E11F14 -109.14 6.71 -9.06 -1.43 0
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449505 135299145 2 N2O3C9H9 A2B3C9D9 -124.74 4.48 -8.38 -1.24 0
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449506 135299152 1 N2O4C11H14 A2B4C11D14 -116.12 1.35 -8.7 -0.86 0
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449508 135299160 1 NO4C15H31 AB4C15D31 -198.77 3.29 -8.88 0.52 0
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449509 135299170 1 SN3O4C28H39 AB3C4D28E39 -183.34 1.54 -8.91 -0.45 0
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449510 135299173 1 N2O3C27H28 A2B3C27D28 -55.36 7.43 -8.38 -0.42 0
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449511 135299180 1 NO3H23C25 AB3C23D25 -71.13 5.88 -8.78 -0.55 0
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449512 135299181 1 NO2C10H13 AB2C10D13 -70.18 4.66 -8.64 0.03 0
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449513 135299190 1 P2S2N3O10C21H41 A2B2C3D10E21F41 -614.79 5.53 -9.35 -0.28 0
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449519 135299234 2 SO2C5H8 AB2C5D8 -189.07 5.53 -8.38 -1.03 0
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449520 135299249 1 SO7C14H22 AB7C14D22 -334.96 4.08 -9.44 0.13 0
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449521 135299255 1 N2S2O9C23H34 A2B2C9D23E34 -298.3 11.09 -8.38 -1.44 0
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449522 135299289 1 SN2O6H24C32 AB2C6D24E32 -37.45 5.48 -8.81 -1.77 0
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449523 135299299 1 N2O3C29H36 A2B3C29D36 -88.94 4.83 -7.98 -0.07 0
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449524 135299307 1 N2O3C34H42 A2B3C34D42 -56.84 3.27 -7.98 -0.06 0
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449525 135299308 1 O3C17H26 A3B17C26 -157.78 6.37 -10.77 -0.13 0
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449526 135299328 1 N2O3H32C34 A2B3C32D34 2.52 4.48 -9.42 -0.8 0
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449527 135299335 1 O2C19H22 A2B19C22 -51.0 2.18 -9.29 0.05 0
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449528 135299339 1 N2C23H34 A2B23C34 8.48 1.47 -8.47 0.32 0
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449529 135299346 1 N2C13H28 A2B13C28 -43.01 1.9 -8.45 2.76 1
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449530 135299349 1 OPN2C35H48 ABC2D35E48 -20.01 11.02 0.0 0.0 0
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449531 135299354 1 NO5C27H49 AB5C27D49 -276.21 4.6 -9.1 -0.19 0
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449532 135299358 1 SN2O2C15H24 AB2C2D15E24 -73.65 5.67 -8.37 -0.55 0
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449533 135299360 1 OCl2N2C21H24 AB2C2D21E24 -35.8 3.73 -8.79 -0.82 0
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449534 135299363 1 N2O2C15H24 A2B2C15D24 -89.35 3.28 -8.22 0.25 0
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449535 135299367 1 NH27C40 AB27C40 163.32 0.32 -8.03 -0.63 0
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449536 135299382 1 NH35C52 AB35C52 223.17 1.53 -8.24 -0.58 0
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449537 135299389 1 NH35C52 AB35C52 209.63 0.75 -7.99 -0.59 0
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449538 135299394 1 NH31C46 AB31C46 187.75 0.51 -7.95 -0.61 0
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449539 135299419 1 NH33C50 AB33C50 204.55 1.07 -8.04 -0.64 0
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449540 135299420 1 NH43C64 AB43C64 258.14 1.06 -7.99 -0.57 0
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449541 135299434 1 NH43C65 AB43C65 275.55 1.49 -8.03 -0.49 0
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449542 135299444 1 NH35C52 AB35C52 212.02 0.88 -8.06 -0.75 0
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449543 135299455 1 NH51C77 AB51C77 315.47 1.48 -7.96 -0.61 0
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449544 135299456 1 NH43C64 AB43C64 256.37 0.85 -8.06 -0.62 0
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449545 135299464 1 NH31C48 AB31C48 207.45 0.62 -7.89 -0.66 0
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449546 135299477 1 ClH13C20 AB13C20 66.89 2.1 -8.87 -0.67 0
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449547 135299487 1 OF3N4C19H35 AB3C4D19E35 -227.92 5.84 -8.17 -0.08 0
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449548 135299490 1 O6C13H26 A6B13C26 -318.05 2.26 -9.83 0.66 0
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449549 135299497 8 OC2H4 AB2C4 -407.53 1.9 -9.88 0.86 0
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449550 135299503 1 ClPO7N8C46H50 ABC7D8E46F50 -205.77 5.13 -9.02 -0.58 0
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449551 135299520 2 O2N3H12C13 A2B3C12D13 20.74 9.4 -8.42 -1.33 0
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449552 135299533 1 O2F3N4H23C25 A2B3C4D23E25 -148.86 6.92 -9.52 -0.84 0
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449553 135299559 2 NH23C30 AB23C30 271.78 1.09 -8.01 -0.37 0
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449554 135299560 2 NH24C30 AB24C30 270.1 1.17 -7.89 -0.33 0
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449555 135299566 1 NO2H41C54 AB2C41D54 171.62 2.48 -7.95 -0.65 0
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449556 135299584 1 NH43C61 AB43C61 255.27 0.72 -7.94 -0.43 0
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449557 135299597 1 NOH35C48 ABC35D48 190.77 1.97 -8.12 -0.64 0
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449558 135299602 1 N2P2S5O15H44C51 A2B2C5D15E44F51 -280.48 61.63 -8.4 -3.28 0
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449559 135299613 1 NH45C58 AB45C58 191.78 1.14 -7.85 -0.77 0
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449560 135299614 1 NOH35C53 ABC35D53 199.45 1.01 -8.02 -0.87 0
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449561 135299624 1 NOH35C53 ABC35D53 201.5 1.21 -8.01 -0.83 0
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449562 135299625 1 NH45C62 AB45C62 237.3 1.33 -7.86 -0.82 0
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449563 135299657 1 FNOH34C53 ABCD34E53 157.74 3.18 -7.97 -0.89 0
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449564 135299661 1 NH39C50 AB39C50 163.52 1.81 -8.0 -0.75 0
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449565 135299678 1 ON2H30C42 AB2C30D42 142.68 3.57 -8.11 -0.87 0
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449566 135299686 2 NH20C29 AB20C29 260.73 1.93 -8.05 -0.9 0
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449567 135299687 2 NH17C23 AB17C23 184.8 2.37 -8.04 -0.95 0
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449568 135299707 1 NO2H41C65 AB2C41D65 221.5 0.8 -8.05 -0.94 0
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449569 135299719 1 NOH37C59 ABC37D59 228.15 1.23 -8.02 -0.88 0
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449570 135299732 1 NH45C62 AB45C62 236.81 0.63 -7.91 -0.75 0
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449571 135299736 1 NH37C53 AB37C53 224.92 0.62 -7.97 -0.84 0
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449572 135299740 1 NOH39C59 ABC39D59 224.27 1.24 -8.02 -0.84 0
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449573 135299742 1 NH49C72 AB49C72 307.53 0.75 -7.9 -0.88 0
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449574 135299751 1 NOH35C49 ABC35D49 158.07 1.72 -8.06 -0.73 0
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449575 135299753 1 NH41C59 AB41C59 252.17 0.9 -8.14 -0.9 0
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449576 135299755 1 NH45C62 AB45C62 237.69 1.55 -7.87 -0.82 0
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449577 135299764 1 N2H40C55 A2B40C55 215.85 2.48 -7.77 -0.7 0
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449578 135299798 1 N2O3C16H20 A2B3C16D20 -132.34 3.62 -8.57 -0.07 0
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449579 135299806 2 NOC11H20 ABC11D20 -125.68 4.19 -8.45 2.05 0
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449580 135299816 2 NC8H10 AB8C10 43.45 2.74 -9.33 -0.49 0
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449581 135299817 1 N3H9C10 A3B9C10 89.41 6.39 -9.96 -1.15 0
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449582 135299839 1 BrNC16H18 ABC16D18 33.16 2.62 -8.34 -0.16 0
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449583 135299841 1 ON4H30C37 AB4C30D37 196.67 2.55 -8.13 -0.48 0
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449584 135299844 1 PSO3C22H23 ABC3D22E23 -76.78 2.28 -8.88 -0.66 0
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449585 135299856 1 N2O2C23H34 A2B2C23D34 -70.49 2.77 -8.08 0.31 0
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449586 135299859 1 N6C17H24 A6B17C24 70.51 4.57 -8.4 -0.13 0