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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413463 135086412 1 NF3O6H14C16 AB3C6D14E16 -361.95 4.31 -9.37 -1.68 0
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413464 135086413 1 BrN2H23C24 AB2C23D24 115.33 2.52 -8.32 -0.66 0
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413465 135086414 1 BrN2C27H27 AB2C27D27 103.47 2.67 -8.29 -0.47 0
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413466 135086415 2 NC11H13 AB11C13 72.65 2.1 -7.94 -0.5 0
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413467 135086416 1 N2O4C15H18 A2B4C15D18 -121.14 1.7 -8.2 -0.44 0
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413468 135086417 1 N2O5H24C26 A2B5C24D26 -105.5 3.61 -8.16 -0.87 0
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413469 135086418 2 BrON2H9C12 ABC2D9E12 51.8 4.31 -8.33 -1.25 0
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413470 135086419 1 IN2C13H15 AB2C13D15 69.05 7.33 -8.13 -1.08 0
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413471 135086420 2 O2C7H8 A2B7C8 -104.25 5.38 -9.64 -0.65 0
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413472 135086421 1 SO2N4C18H18 AB2C4D18E18 28.46 4.13 -8.5 -0.65 0
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413473 135086422 1 SO2N4H16C18 AB2C4D16E18 59.33 3.44 -8.63 -0.81 0
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413474 135086423 1 FN2O4C14H15 AB2C4D14E15 -193.36 3.03 -8.68 -0.64 0
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413475 135086424 2 ON2C9H12 AB2C9D12 -17.04 7.65 -8.28 -0.46 1
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413476 135086425 1 N2F3H10C13 A2B3C10D13 -98.88 6.59 0.0 0.0 0
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413477 135086426 1 SO2N4H16C21 AB2C4D16E21 73.99 3.49 -8.54 -0.74 0
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413478 135086427 1 SN2O2C21H24 AB2C2D21E24 -42.99 1.91 -8.57 -1.02 0
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413479 135086428 1 NSCl3O8C33H34 ABC3D8E33F34 -267.84 5.0 -8.26 -0.61 0
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413480 135086429 1 ClOH9C10 ABC9D10 21.5 2.77 -9.01 -0.37 0
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413481 135086430 1 O3C10H14 A3B10C14 -78.85 3.56 -9.72 0.54 0
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413482 135086431 1 IO2C13H13 AB2C13D13 -27.4 2.12 -9.5 -1.38 0
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413483 135086432 1 N2C15H26 A2B15C26 -12.48 1.44 -7.89 1.5 0
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413484 135086433 2 ClOC7H8 ABC7D8 -64.55 2.01 -9.96 -0.38 0
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413485 135086434 1 NOH9C11 ABC9D11 40.03 1.41 -8.87 -0.91 0
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413486 135086435 1 OSN2C12H16 ABC2D12E16 25.27 2.95 -8.6 -0.17 0
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413487 135086436 1 OSC13H24 ABC13D24 -78.16 3.06 -8.79 0.7 0
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413488 135086437 1 BrMgO2C8H9 ABC2D8E9 -29.73 15.13 -6.77 -2.14 0
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413489 135086438 1 NOH3F4C9 ABC3D4E9 -146.9 2.66 -10.56 -1.29 0
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413490 135086439 1 O3C10H12 A3B10C12 -96.25 2.32 -8.51 -0.12 0
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413491 135086440 1 SO2N4C12H14 AB2C4D12E14 -20.51 3.26 -9.01 -1.11 0
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413492 135086441 1 BrNO2C10H10 ABC2D10E10 15.81 5.8 -9.93 -1.07 0
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413493 135086442 1 NSO3C8H13 ABC3D8E13 -61.36 2.19 -9.92 0.08 0
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413494 135086443 2 NC7H10 AB7C10 39.53 3.59 -8.15 0.27 0
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413495 135086444 2 NO2C9H12 AB2C9D12 -112.26 4.08 -9.08 -0.34 0
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413496 135086445 1 NSO2C12H13 ABC2D12E13 9.26 3.49 -8.93 -0.22 0
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413497 135086446 1 OSN2C25H26 ABC2D25E26 46.33 4.51 -8.34 0.0 0
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413498 135086447 1 SN2O5C29H30 AB2C5D29E30 -124.4 6.98 -8.39 -0.62 0
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413499 135086448 1 SiO2C12H20 AB2C12D20 -127.24 2.61 -8.49 0.36 0
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413500 135086449 1 N2O9C16H22 A2B9C16D22 -394.15 8.74 -9.78 -0.57 0
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413501 135086450 1 NO4C18H21 AB4C18D21 -153.94 5.98 -9.2 -0.91 0
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413502 135086451 1 OSiF3C12H17 ABC3D12E17 -258.44 6.03 -9.76 -0.31 0
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413503 135086452 1 SiO2C10H16 AB2C10D16 -84.84 2.06 -8.05 0.11 0
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413504 135086453 1 SiO3C14H28 AB3C14D28 -205.31 2.32 -8.8 0.61 0
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413505 135086454 1 SiO5C29H36 AB5C29D36 -174.0 3.41 -8.54 -1.0 0
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413506 135086455 2 ON2C7H7 AB2C7D7 2.54 2.86 -9.06 -0.79 0
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413507 135086456 2 ON2C7H7 AB2C7D7 -6.95 1.28 -9.02 -0.72 0
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413508 135086457 1 O3C20H22 A3B20C22 -97.47 4.23 -9.71 -0.73 0
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413509 135086458 1 NO3H15C17 AB3C15D17 -50.67 5.61 -8.72 -0.93 0
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413510 135086459 1 SO2H18C20 AB2C18D20 5.19 5.39 -8.26 -0.28 0
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413511 135086460 1 O2F5H7C9 A2B5C7D9 -297.53 2.92 -10.52 -1.39 0
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413512 135086461 1 SH24C27 AB24C27 143.59 2.53 -8.31 -0.38 0
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413513 135086462 2 NOSH8C9 ABCD8E9 45.2 4.94 -8.64 -0.64 0
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413514 135086463 1 C25H26 A25B26 55.97 0.85 -9.0 -0.01 0
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413515 135086464 1 SH14C22 AB14C22 185.97 1.72 -8.32 -0.5 0
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413516 135086465 1 SH20C21 AB20C21 121.16 1.89 -8.11 -0.18 0
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413517 135086466 1 OSH16C21 ABC16D21 79.63 2.37 -8.58 -0.2 0
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413518 135086467 1 NSSiO3C15H21 ABCD3E15F21 -78.72 3.63 -9.57 -0.55 0
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413519 135086468 1 NO2C14H21 AB2C14D21 -80.37 4.61 -8.78 0.53 0
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413520 135086469 1 OC20H22 AB20C22 12.51 2.65 -9.14 0.31 0
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413521 135086470 1 ClNOC10H10 ABCD10E10 -27.29 2.26 -9.72 -0.43 0
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413522 135086471 1 NOH13C14 ABC13D14 -1.32 3.68 -9.1 -0.65 0
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413523 135086472 1 BrOSiN2F3C10H16 ABCD2E3F10G16 -202.41 6.95 -10.03 -0.62 0
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413524 135086473 1 O5C10H16 A5B10C16 -227.86 2.15 -9.98 0.24 0
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413525 135086474 2 O3C8H10 A3B8C10 -232.69 2.29 -9.48 0.15 0
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413526 135086475 1 OSC14H20 ABC14D20 -34.82 2.98 -9.31 -0.77 1
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413527 135086476 1 NOC9H12 ABC9D12 -15.29 3.22 0.0 0.0 1
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413528 135086477 1 BrNC8H9 ABC8D9 26.45 3.44 0.0 0.0 0
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413529 135086478 1 NOC18H21 ABC18D21 -5.28 2.13 -8.54 -0.02 0
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413530 135086479 1 NOC23H23 ABC23D23 28.2 1.1 -8.6 -0.17 0
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413531 135086480 2 O2C8H9 A2B8C9 -108.81 4.42 -9.49 -0.46 1
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413532 135086481 1 FN2C8H8 AB2C8D8 -8.2 3.37 0.0 0.0 0
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413533 135086482 1 SO3N4H20C21 AB3C4D20E21 -33.02 6.29 -8.68 -1.04 0
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413534 135086483 1 O2N3H11C13 A2B3C11D13 40.3 5.46 -8.41 -1.37 1
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413535 135086484 1 N4C13H13 A4B13C13 120.03 1.4 0.0 0.0 1
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413536 135086485 1 N4C14H15 A4B14C15 113.93 4.49 0.0 0.0 0
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413537 135086486 1 N2O4H12C17 A2B4C12D17 -11.46 6.17 -9.3 -1.88 0
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413538 135086487 1 SN2O3H16C18 AB2C3D16E18 3.48 6.26 -8.54 -0.94 0
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413539 135086488 1 SN2O4H18C19 AB2C4D18E19 -41.42 3.91 -8.23 -0.77 0
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413540 135086489 1 NOSH2C7F11 ABCD2E7F11 -563.25 1.27 -9.69 -2.28 0
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413541 135086490 1 FO2N3C22H22 AB2C3D22E22 -79.43 6.02 -8.66 -0.8 1
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413542 135086491 1 N2C13H13 A2B13C13 57.46 2.83 0.0 0.0 0
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413543 135086492 1 SO2N4H18C22 AB2C4D18E22 67.76 4.51 -8.57 -0.7 0
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413544 135086493 1 SO2N4H12C15 AB2C4D12E15 52.59 5.54 -8.74 -1.04 0
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413545 135086494 1 NSCl3O9H42C46 ABC3D9E42F46 -245.98 4.2 -8.54 -0.7 0
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413546 135086495 1 INSC10H10 ABCD10E10 71.44 4.31 -9.25 -1.08 0
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413547 135086496 1 FNC13H16 ABC13D16 -25.44 2.92 -9.13 0.58 0
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413548 135086497 1 NC14H17 AB14C17 74.27 0.79 -9.05 0.38 0
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413549 135086498 1 LiSiS2C10H21 ABC2D10E21 -63.93 7.38 -7.26 1.25 0
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413550 135086499 1 NOH13C14 ABC13D14 23.63 2.59 -9.29 -0.51 0
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413551 135086500 1 NOH13C14 ABC13D14 22.66 2.92 -9.28 -0.49 0
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413552 135086501 1 ClMgC10H17 ABC10D17 -83.93 4.13 -8.43 0.78 0
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413553 135086502 1 Cl2S2N4C5H14 A2B2C4D5E14 -50.92 5.18 -9.4 -0.36 0
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413554 135086503 1 NO4C11H17 AB4C11D17 -166.24 2.95 -10.2 0.52 0
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413555 135086504 1 OCl2C10H16 AB2C10D16 -78.82 3.65 -10.04 -0.65 0
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413556 135086505 1 ClOC11H11 ABC11D11 -12.35 3.67 -9.43 -0.61 0
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413557 135086506 1 ClN2O2H7C10 AB2C2D7E10 30.59 5.62 -9.1 -1.64 1
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413558 135086507 1 ClN2O2H8C10 AB2C2D8E10 21.25 3.79 0.0 0.0 0
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413559 135086508 1 BClBr2C10H20 ABC2D10E20 -88.04 1.96 -10.37 -0.16 0
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413560 135086509 1 NC14H15 AB14C15 99.95 2.96 -9.33 0.09 0
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413561 135086510 1 NSC11H11 ABC11D11 114.03 2.71 -9.04 -0.53 0
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413562 135086511 1 ClN3C4H12 AB3C4D12 -30.76 8.59 -9.74 0.48 0