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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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233515 91145152 2 O2N3H8C11 A2B3C8D11 2.67 6.53 -8.94 -1.39 0
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233516 91145157 1 SO3N6C28H38 AB3C6D28E38 -76.47 1.2 -9.27 -0.15 0
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233517 91145203 1 FS2N5O5C27H30 AB2C5D5E27F30 -179.91 8.47 -8.37 -0.8 0
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233518 91145206 1 SO4C12H18 AB4C12D18 -179.5 4.2 -9.57 -0.33 1
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233519 91145208 1 N2O4C42H59 A2B4C42D59 -144.29 3.07 0.0 0.0 0
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233520 91145231 1 FS2N6H11C14 AB2C6D11E14 96.73 2.41 -8.46 -0.94 1
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233521 91145239 1 NC6H10 AB6C10 40.46 2.06 0.0 0.0 0
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233522 91145240 1 OF3N6C16H17 AB3C6D16E17 -114.66 5.66 -8.69 -1.13 0
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233523 91145251 1 OSN3H7C13 ABC3D7E13 112.9 3.18 -9.01 -1.53 0
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233524 91145262 1 ClO2N4C17H17 AB2C4D17E17 -7.23 6.17 -9.36 -1.07 0
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233525 91145272 1 N2O2F3C18H21 A2B2C3D18E21 -224.64 5.43 -9.72 -0.79 0
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233526 91145273 1 FIN3O6H27C28 ABC3D6E27F28 -202.92 2.55 -8.67 -1.24 0
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233527 91145291 1 SN3O5C21H33 AB3C5D21E33 -184.88 8.38 -8.52 -0.25 0
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233528 91145292 1 ClN2O2C18H27 AB2C2D18E27 -90.74 4.48 -8.89 -0.18 0
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233529 91145296 1 FNCl2O4H16C20 ABC2D4E16F20 -177.33 2.39 -8.95 -1.24 0
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233530 91145297 1 BrFO2C12H14 ABC2D12E14 -131.29 2.47 -9.94 -0.37 2
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233531 91145340 1 O2N4C13H14 A2B4C13D14 107.59 1.72 -8.08 -0.85 1
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233532 91145341 1 O2N4C13H13 A2B4C13D13 114.75 2.07 0.0 0.0 0
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233533 91145346 2 N2O2C6H7 A2B2C6D7 -66.47 4.8 -8.62 -0.65 0
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233534 91145351 1 ON2C12H16 AB2C12D16 40.57 3.1 -8.52 0.41 0
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233535 91145358 2 S2H13C16 A2B13C16 154.14 0.88 -7.89 -0.86 0
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233536 91145360 1 FSN3O4C23H26 ABC3D4E23F26 -181.19 7.85 -8.97 -0.87 0
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233537 91145361 1 N2O5H26C27 A2B5C26D27 -78.86 3.28 -8.64 -0.9 0
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233538 91145363 1 BrN2O3C25H25 AB2C3D25E25 -83.9 5.65 -8.74 -1.06 0
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233539 91145364 1 SO14C32H32 AB14C32D32 -477.64 1.73 -8.74 -0.69 0
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233540 91145386 1 N2O5C20H24 A2B5C20D24 -187.55 1.64 -9.38 -1.12 0
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233541 91145392 1 O2N3F4H25C27 A2B3C4D25E27 -196.6 3.17 -8.76 -0.78 0
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233542 91145396 1 ClN2C13H21 AB2C13D21 -8.53 6.06 -8.53 -0.28 0
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233543 91145397 1 O2C13H16 A2B13C16 -58.83 0.46 -8.11 -0.12 0
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233544 91145398 1 N3O4C23H41 A3B4C23D41 -223.74 2.6 -9.09 -0.13 0
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233545 91145408 1 N3C10H23 A3B10C23 -16.68 3.02 -8.64 2.42 0
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233546 91145414 1 ClO2N4H15C20 AB2C4D15E20 53.59 4.5 -8.89 -1.13 0
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233547 91145420 1 NOSF2H15C16 ABCD2E15F16 -97.38 4.07 -8.87 -0.72 0
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233548 91145423 1 O2N5C20H27 A2B5C20D27 70.69 7.8 -9.27 -0.34 0
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233549 91145427 1 SO3F4C6H10 AB3C4D6E10 -356.4 2.91 -9.98 -0.47 0
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233550 91145433 1 N3O4C74H85 A3B4C74D85 -147.18 7.05 -8.36 -1.62 0
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233551 91145437 1 N3O4H23C27 A3B4C23D27 -29.64 3.08 -8.81 -0.93 0
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233552 91145438 1 ClFN2O2C18H18 ABC2D2E18F18 -113.43 5.15 -8.88 -0.48 0
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233553 91145439 1 N2S2O7H14C20 A2B2C7D14E20 -154.26 11.43 -8.93 -2.12 0
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233554 91145441 1 ClNO5C13H14 ABC5D13E14 -201.6 6.7 -9.82 -0.64 0
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233555 91145443 1 O2C11H20 A2B11C20 -104.58 3.48 -9.83 1.16 0
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233556 91145444 1 SN3O5C30H37 AB3C5D30E37 -137.37 5.94 -8.64 -0.46 0
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233557 91145445 1 OC12H24 AB12C24 -101.62 2.31 -10.16 2.87 0
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233558 91145447 1 FN3O5C28H32 AB3C5D28E32 -201.79 3.71 -8.66 -0.76 0
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233559 91145448 2 NO4C15H15 AB4C15D15 -288.98 14.41 -9.41 -1.08 0
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233560 91145449 1 SN7O8C13H17 AB7C8D13E17 -232.53 5.66 -10.46 -1.47 0
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233561 91145458 1 ON3C19H23 AB3C19D23 -2.8 3.95 -8.34 -0.62 0
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233562 91145459 1 FN2C19H23 AB2C19D23 88.82 4.2 -7.97 -0.62 0
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233563 91145460 1 SO3N4C15H20 AB3C4D15E20 -31.08 7.86 -9.35 -0.94 0
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233564 91145467 1 FSO4N5C28H30 ABC4D5E28F30 -125.17 7.81 -9.06 -0.91 0
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233565 91145468 4 NOC5H6 ABC5D6 -133.72 1.04 -8.35 -0.56 0
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233566 91145474 1 NO2C7H9 AB2C7D9 -17.98 2.21 -8.08 0.95 0
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233567 91145475 1 BrO4C15H15 AB4C15D15 -141.87 2.37 -7.97 -0.69 0
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233568 91145477 1 P2N3O3C17H21 A2B3C3D17E21 42.08 4.7 -9.08 -0.97 0
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233569 91145482 1 ON2C14H16 AB2C14D16 8.62 1.21 -8.85 -0.86 0
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233570 91145483 1 F4O4N5C26H31 A4B4C5D26E31 -301.93 3.04 -8.77 -1.12 0
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233571 91145484 2 OC14H18 AB14C18 -51.83 2.43 -8.62 -0.89 0
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233572 91145490 1 N7C16H37 A7B16C37 -28.12 1.02 -8.55 1.26 0
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233573 91145491 1 N2O12C19H24 A2B12C19D24 -457.17 2.29 -10.46 -0.94 0
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233574 91145492 1 Cl3N3O4H28C30 A3B3C4D28E30 -62.81 2.96 -9.22 -1.01 0
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233575 91145493 1 N4O4C5H8 A4B4C5D8 -151.7 4.5 -8.53 -0.14 0
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233576 91145494 1 Cl2F3O3N4H19C28 A2B3C3D4E19F28 -183.05 12.5 -9.86 -1.64 0
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233577 91145495 1 F3O4H23C24 A3B4C23D24 -250.22 2.69 -9.32 -1.54 0
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233578 91145497 1 ClNO3C10H10 ABC3D10E10 -117.9 6.92 -9.19 -0.88 0
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233579 91145498 1 ClN2O2C21H25 AB2C2D21E25 -50.0 4.08 -8.45 -0.77 0
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233580 91145508 1 O3C15H28 A3B15C28 -151.59 1.87 -9.18 1.31 0
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233581 91145509 1 O2F3N4C26H27 A2B3C4D26E27 -117.4 4.24 -8.84 -0.87 0
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233582 91145511 1 NO3C18H31 AB3C18D31 -135.08 2.05 -8.27 0.68 0
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233583 91145512 1 NOC9H11 ABC9D11 31.35 3.18 -9.25 -1.0 0
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233584 91145514 1 OC10H18 AB10C18 -63.35 2.21 -10.11 0.97 0
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233585 91145516 1 SN2O4C25H30 AB2C4D25E30 -121.34 2.68 -8.64 -0.48 0
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233586 91145517 1 NOSC20H25 ABCD20E25 -15.05 1.94 -8.63 -0.48 0
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233587 91145538 1 SO18N19C69H101 AB18C19D69E101 -756.57 11.84 -8.59 -0.39 0
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233588 91145541 1 O2N3C22H31 A2B3C22D31 -63.31 6.09 -8.91 -0.38 0
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233589 91145542 1 ClSBr2N2O5H17C23 ABC2D2E5F17G23 -133.56 12.81 -9.23 -1.1 0