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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159493 57288217 1 ON5H12C13 AB5C12D13 84.5 1.33 0.0 0.0 0
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159494 57288230 2 O2C11H19 A2B11C19 -196.08 2.17 -9.72 0.73 0
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159495 57288245 1 ISN3H14C15 ABC3D14E15 90.68 4.94 -8.29 -0.79 0
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159496 57288252 2 NO2F3C14H17 AB2C3D14E17 -468.35 7.59 -7.94 -0.96 0
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159497 57288255 1 OC16H30 AB16C30 -13.31 1.9 -7.69 -0.07 0
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159498 57288256 1 SO2Cl4N6H14C18 AB2C4D6E14F18 -14.53 12.31 -8.59 -1.25 0
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159499 57288258 1 SH4N4C5 AB4C4D5 114.91 2.58 -9.34 -1.2 0
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159500 57288265 1 FON4C14H21 ABC4D14E21 -82.66 3.77 -9.18 -0.41 0
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159501 57288267 1 SN3C12H17 AB3C12D17 37.42 3.66 -8.28 -0.31 0
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159502 57288268 1 NC10H17 AB10C17 7.14 1.26 -8.29 2.86 0
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159503 57288270 1 ClN2O2C28H29 AB2C2D28E29 -29.51 2.87 -8.23 -1.28 0
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159504 57288271 1 NO3C11H21 AB3C11D21 -150.27 1.95 -9.43 0.1 0
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159505 57288272 1 SiO2C12H25 AB2C12D25 -163.04 1.48 0.0 0.0 0
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159506 57288275 1 FO3C27H45 AB3C27D45 -257.82 2.67 -9.32 1.19 0
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159507 57288276 1 N3O6C31H39 A3B6C31D39 -244.58 5.77 -8.8 -0.72 0
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159508 57288277 1 F3N3O8H30C32 A3B3C8D30E32 -392.35 5.17 -8.91 -0.92 0
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159509 57288281 1 ClO2N3C20H20 AB2C3D20E20 -43.71 3.54 -9.41 -1.1 0
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159510 57288284 2 N2O3C17H27 A2B3C17D27 -243.41 6.81 -9.27 0.01 0
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159511 57288290 1 SO2N3C12H19 AB2C3D12E19 -68.79 8.13 -8.87 -0.08 0
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159512 57288291 1 FN4O4C27H31 AB4C4D27E31 -137.96 8.39 -9.26 -1.77 0
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159513 57288292 1 N2O3C5H6 A2B3C5D6 -104.92 7.67 -11.27 -0.21 0
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159514 57288295 1 ClNPO7C21H35 ABCD7E21F35 -388.74 6.25 -9.21 0.04 0
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159515 57288305 1 ClSO2N3C8H8 ABC2D3E8F8 13.33 9.08 -9.75 -1.7 0
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159516 57288323 1 BrNO2C18H22 ABC2D18E22 -64.1 3.38 -8.8 -0.39 0
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159517 57288324 1 SSiO2C22H34 ABC2D22E34 -117.56 1.81 -8.09 0.23 0
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159518 57288350 1 ClNOSC4H6 ABCDE4F6 -47.95 3.54 -9.37 -0.5 0
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159519 57288351 1 NO4H13C16 AB4C13D16 -23.74 7.43 -9.96 -1.31 0
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159520 57288353 1 ClO2H15C17 AB2C15D17 -14.34 5.03 -9.29 -0.86 0
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159521 57288411 1 NO3C15H21 AB3C15D21 -144.22 2.01 -9.35 0.4 0
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159522 57288412 1 ClN2O3C20H25 AB2C3D20E25 -87.26 3.82 -8.93 -0.5 0
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159523 57288413 1 ClSiF4C14H14 ABC4D14E14 -145.57 2.97 0.0 0.0 1
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159524 57288414 1 N3O6C28H36 A3B6C28D36 -207.65 4.54 0.0 0.0 0
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159525 57288416 1 FNSO3C22H22 ABCD3E22F22 -104.99 4.74 -8.56 -0.58 0
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159526 57288417 1 N3O3H7C8 A3B3C7D8 -15.04 3.34 -9.35 -2.39 1
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159527 57288418 1 N3O3C8H8 A3B3C8D8 -39.19 4.51 0.0 0.0 0
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159528 57288420 1 O2F4C9H12 A2B4C9D12 -297.09 4.84 -10.85 -0.24 0
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159529 57288421 1 ClN3C23H26 AB3C23D26 52.89 2.76 -8.31 -0.1 0
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159530 57288422 2 NOC8H10 ABC8D10 -37.91 5.26 -9.87 -0.45 0
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159531 57288423 1 O3N4C22H22 A3B4C22D22 -43.27 7.39 -9.18 -0.38 1
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159532 57288424 1 FNC5H5 ABC5D5 -8.53 1.5 0.0 0.0 0
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159533 57288425 1 N2O9C33H40 A2B9C33D40 -301.47 3.84 -9.42 -0.21 0
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159534 57288426 1 BrF3O3C20H20 AB3C3D20E20 -257.42 5.82 -8.9 -0.51 0
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159535 57288427 1 S2N5O9C23H29 A2B5C9D23E29 -299.83 4.77 -9.15 -0.93 0
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159536 57288428 1 OS2N4C15H20 AB2C4D15E20 16.86 2.75 -9.23 -0.54 0
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159537 57288429 2 NO3C10H13 AB3C10D13 -207.11 5.35 -8.58 -0.29 0
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159538 57288431 1 N4O7C23H32 A4B7C23D32 -277.09 5.22 -9.23 -0.55 0
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159539 57288432 2 NOC12H13 ABC12D13 -23.75 1.26 -9.21 -0.89 0
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159540 57288433 1 NSO4C5H11 ABC4D5E11 -167.86 3.98 -9.88 0.16 0
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159541 57288434 1 OC21H36 AB21C36 -85.74 1.53 -8.56 0.44 0
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159542 57288435 1 SN3O8C27H43 AB3C8D27E43 -277.49 2.64 -8.96 -0.68 0
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159543 57288436 2 SN2O3C6H9 AB2C3D6E9 -239.98 3.17 -8.66 -0.75 0
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159544 57288437 1 NC20H25 AB20C25 47.72 1.49 -8.53 -0.01 0
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159545 57288438 1 FN2O3C19H25 AB2C3D19E25 -199.7 4.41 -9.0 -0.3 0
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159546 57288439 1 ClF2S2N5O6H26C33 AB2C2D5E6F26G33 -135.06 8.99 -9.16 -1.15 0
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159547 57288440 1 O3H26C32 A3B26C32 9.55 2.64 -8.37 -0.64 0
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159548 57288441 1 ON3C12H15 AB3C12D15 14.33 6.32 -9.55 -0.83 0
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159549 57288442 1 SO4C5H10 AB4C5D10 -165.61 4.88 -10.82 0.18 0
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159550 57288444 1 FO5C30H33 AB5C30D33 -209.86 3.51 -9.22 -1.11 0
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159551 57288445 1 O3C18H28 A3B18C28 -149.63 3.44 -9.96 0.35 0
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159552 57288446 1 SN4C25H38 AB4C25D38 20.65 5.29 -8.43 -0.28 0
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159553 57288447 1 ON2C25H36 AB2C25D36 -34.31 1.78 -8.08 0.21 0
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159554 57288448 1 FOC26H39 ABC26D39 -113.81 3.71 -8.56 0.33 0
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159555 57288449 1 NSO4C16H23 ABC4D16E23 -169.77 6.71 -9.53 -0.81 0
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159556 57288450 1 PO3C19H31 AB3C19D31 -158.07 1.71 -9.06 0.04 0
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159557 57288451 1 S2N3O5C7H9 A2B3C5D7E9 -144.81 5.33 -11.06 -2.23 0
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159558 57288452 1 N3O3C17H25 A3B3C17D25 -120.69 5.3 -9.18 -0.13 0
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159559 57288453 1 ClS2N5O6C17H18 AB2C5D6E17F18 -141.18 3.04 -9.43 -1.18 0
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159560 57288454 1 PO3C22H39 AB3C22D39 -231.0 2.59 -9.23 0.23 0
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159561 57288457 1 PO3C16H27 AB3C16D27 -180.99 1.27 -9.56 0.2 -1
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159562 57288459 1 ClNSO3C13H17 ABCD3E13F17 -82.53 3.09 0.0 0.0 0
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159563 57288460 1 ClNSO3C13H18 ABCD3E13F18 -104.85 4.8 -8.87 -0.46 0
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159564 57288463 1 NOC9H11 ABC9D11 -0.09 3.7 -9.34 0.56 0
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159565 57288464 1 NO2C11H11 AB2C11D11 5.12 1.89 -8.32 -0.21 0
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159566 57288465 1 OC2N6H8 AB2C6D8 47.8 2.78 -9.02 0.35 0
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159567 57288466 1 SiO4C15H32 AB4C15D32 -277.45 2.88 -8.73 1.33 0
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159568 57288467 1 NO3C15H31 AB3C15D31 -169.38 3.74 -10.36 0.34 0
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159569 57288469 1 O3C27H34 A3B27C34 -126.85 2.98 -8.69 -0.23 0
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159570 57288470 1 OCl2F6H14C18 AB2C6D14E18 -344.48 4.07 -10.34 -0.78 0
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159571 57288471 1 ClNSO5C12H16 ABCD5E12F16 -226.12 6.25 -9.49 -0.39 0
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159572 57288472 4 OC7H10 AB7C10 -220.16 4.85 -9.18 -0.25 0
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159573 57288473 1 ClF2N2S2O6H23C28 AB2C2D2E6F23G28 -149.74 5.48 -8.66 -1.72 0
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159574 57288474 1 FO2N4C12H15 AB2C4D12E15 -55.17 4.82 -8.66 -0.7 0
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159575 57288475 2 ON2C11H17 AB2C11D17 -38.46 3.92 -8.06 -0.1 0
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159576 57288476 1 SiO2C9H18 AB2C9D18 -82.37 4.11 -6.93 -0.51 0
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159577 57288477 1 N8O9C44H56 A8B9C44D56 -248.63 4.38 -9.27 -1.59 0
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159578 57288485 1 O2S3N4C16H28 A2B3C4D16E28 -59.41 5.48 -8.73 -0.44 0
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159579 57288486 2 N2C5H13 A2B5C13 -27.81 3.22 -9.12 2.76 0
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159580 57288488 2 NOC6H9 ABC6D9 -68.88 4.53 -8.66 -0.02 0
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159581 57288489 2 O2C3H4 A2B3C4 -153.44 3.53 -10.92 -0.43 0
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159582 57288490 1 NO6H17C19 AB6C17D19 -131.41 6.31 -9.08 -1.1 0
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159583 57288492 1 C27H56 A27B56 -130.3 0.14 -10.28 4.04 0
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159584 57288493 1 NPO8H20C23 ABC8D20E23 -323.68 2.95 -9.83 -1.06 0
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159585 57288494 2 H18C23 A18B23 218.72 0.1 -8.82 -0.26 0
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159586 57288495 1 ClN2O2H13C14 AB2C2D13E14 -48.29 7.0 -8.79 -0.32 0
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159587 57288496 1 O5C31H46 A5B31C46 -223.57 4.68 -8.53 0.27 0
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159588 57288497 1 N3O3C10H19 A3B3C10D19 -161.19 2.92 -9.14 -0.04 0
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159589 57288498 2 OC6H8 AB6C8 -67.39 5.74 -9.6 -0.16 0
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159590 57288499 1 ClSC10H13 ABC10D13 -8.17 3.03 -8.92 -0.08 0
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159591 57288504 1 N3O3C28H29 A3B3C28D29 -45.53 10.23 -9.45 -0.54 0
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159592 57288505 1 N2O2C15H16 A2B2C15D16 -6.75 2.54 -9.28 -0.49 0