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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165392 74545406 1 O2N7C13H24 A2B7C13D24 -15.68 5.17 0.0 0.0 0
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165393 74545407 1 O2N7C13H23 A2B7C13D23 -37.81 5.18 -8.6 -0.27 1
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165394 74545408 1 N2O4C21H21 A2B4C21D21 -84.32 4.25 0.0 0.0 0
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165395 74545409 1 ClNO4C15H16 ABC4D15E16 -125.65 5.41 -9.02 -0.87 0
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165396 74545410 1 SN2O2C16H16 AB2C2D16E16 -39.11 8.21 -8.58 -1.1 0
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165397 74545423 1 SN4O4C9H18 AB4C4D9E18 -129.55 3.04 -9.1 -0.16 0
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165398 74545570 1 N5O5C25H29 A5B5C25D29 -116.14 5.27 -8.95 -0.7 -1
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165399 74545597 1 N2O6H23C27 A2B6C23D27 -125.99 7.59 0.0 0.0 -1
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165400 74545598 1 NBr2O2S2C14H16 AB2C2D2E14F16 -8.06 15.35 0.0 0.0 -1
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165401 74545636 1 N3O5H16C20 A3B5C16D20 -9.97 5.47 0.0 0.0 0
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165402 74545774 1 S2N3O4C20H21 A2B3C4D20E21 -83.37 4.33 -8.88 -1.57 0
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165403 74546139 1 F2N2O3C16H22 A2B2C3D16E22 -210.19 3.61 -9.07 -0.38 0
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165404 74546140 1 O2N5C20H29 A2B5C20D29 -27.4 6.2 -8.18 0.3 0
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165405 74546695 1 ClSO2N4C13H17 ABC2D4E13F17 -83.94 4.91 -8.44 -0.37 0
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165406 74546696 1 NO2C14H21 AB2C14D21 -46.75 3.34 -8.65 -0.16 0
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165407 74546697 1 ON2C16H22 AB2C16D22 -0.41 5.39 -9.3 -1.51 1
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165408 74546734 1 ON7C23H40 AB7C23D40 18.06 8.51 0.0 0.0 1
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165409 74546792 1 ON2C7H17 AB2C7D17 -21.58 3.01 0.0 0.0 0
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165410 74546873 1 SO3N7C18H29 AB3C7D18E29 -101.93 4.96 -9.2 -0.58 -1
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165411 74546954 1 NO3H10C16 AB3C10D16 37.24 2.53 0.0 0.0 -2
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165412 74547227 2 H2C3O3 A2B3C3 -157.77 5.16 -10.93 -0.83 1
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165413 74547228 1 O2N4C27H37 A2B4C27D37 -28.17 3.97 0.0 0.0 -1
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165414 74547229 1 O4N6C10H11 A4B6C10D11 53.17 5.99 0.0 0.0 0
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165415 74547238 1 SN3O4C6H7 AB3C4D6E7 -119.41 4.7 -10.29 -2.18 1
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165416 74547559 1 N2O2C19H29 A2B2C19D29 -61.76 3.28 0.0 0.0 1
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165417 74547904 1 N2O3C23H35 A2B3C23D35 -100.37 2.56 0.0 0.0 1
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165418 74547905 1 BrO2N3C20H25 AB2C3D20E25 -50.35 2.65 0.0 0.0 1
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165419 74547906 1 N2O2C20H29 A2B2C20D29 -48.11 2.97 0.0 0.0 1
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165420 74547907 1 N2O3C19H27 A2B3C19D27 -68.96 2.97 0.0 0.0 1
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165421 74547908 1 N2O3C23H35 A2B3C23D35 -87.53 1.54 0.0 0.0 1
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165422 74547909 1 N2O2C17H23 A2B2C17D23 -50.09 2.57 0.0 0.0 1
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165423 74547910 1 N2O3C19H27 A2B3C19D27 -81.54 3.48 0.0 0.0 1
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165424 74547911 1 N2O3C21H31 A2B3C21D31 -79.98 2.72 0.0 0.0 1
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165425 74547912 1 BrO2N3C19H23 AB2C3D19E23 -43.18 2.1 0.0 0.0 1
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165426 74547929 1 O2N3C22H22 A2B3C22D22 -5.91 3.23 0.0 0.0 1
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165427 74548496 1 FON4C21H30 ABC4D21E30 -6.34 2.18 0.0 0.0 0
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165428 74548497 1 N4O5H16C17 A4B5C16D17 -64.85 13.69 -9.34 -1.1 -1
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165429 74548498 1 N4O5C12H17 A4B5C12D17 -94.0 2.44 0.0 0.0 -1
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165430 74548499 1 FN2O5C22H22 AB2C5D22E22 -137.39 5.23 0.0 0.0 1
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165431 74548500 1 OSN6C20H27 ABC6D20E27 101.82 7.15 0.0 0.0 1
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165432 74548501 1 ON2C16H25 AB2C16D25 18.66 1.54 0.0 0.0 1
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165433 74548502 1 FON6C23H30 ABC6D23E30 59.52 7.42 0.0 0.0 1
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165434 74548503 1 SO4N6C24H31 AB4C6D24E31 -25.89 3.96 0.0 0.0 1
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165435 74548593 1 FSCl2O2N4H22C23 ABC2D2E4F22G23 -57.79 5.19 0.0 0.0 0
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165436 74548594 1 FSCl2O2N4H21C23 ABC2D2E4F21G23 -87.51 1.7 -9.13 -0.97 1
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165437 74548595 1 ClOSN5H13C14 ABCD5E13F14 98.21 5.62 0.0 0.0 1
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165438 74548596 1 SCl2O2N4H17C24 AB2C2D4E17F24 40.84 1.62 0.0 0.0 1
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165439 74549043 1 ON6C22H29 AB6C22D29 114.29 6.2 0.0 0.0 1
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165440 74549162 1 BrON5C16H19 ABC5D16E19 30.42 3.66 0.0 0.0 1
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165441 74549203 1 NOC10H14 ABC10D14 -16.34 3.08 0.0 0.0 -1
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165442 74549221 1 N2O4C15H17 A2B4C15D17 -99.24 4.79 0.0 0.0 -1
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165443 74549222 1 ClFNO4H10C11 ABCD4E10F11 -193.76 4.93 0.0 0.0 -1
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165444 74549241 1 ClN2O4C12H12 AB2C4D12E12 -55.59 5.65 0.0 0.0 1
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165445 74549578 1 ON6C21H35 AB6C21D35 45.85 8.22 0.0 0.0 0
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165446 74550462 1 SO3N4C23H26 AB3C4D23E26 -57.83 6.56 -8.55 -0.23 1
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165447 74551889 1 O2N3C20H24 A2B3C20D24 62.91 5.44 0.0 0.0 1
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165448 74551890 1 N2C13H25 A2B13C25 27.34 1.81 0.0 0.0 -1
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165449 74551948 1 ClO2S2N3H15C21 AB2C2D3E15F21 83.78 5.07 0.0 0.0 1
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165450 74552024 1 ON2C16H29 AB2C16D29 -10.47 2.97 0.0 0.0 1
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165451 74552025 1 N2C20H29 A2B20C29 61.45 1.97 0.0 0.0 1
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165452 74552158 1 O2N5C21H32 A2B5C21D32 -60.86 6.78 0.0 0.0 -2
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165453 74552233 1 N2O7H16C24 A2B7C16D24 -24.41 1.8 -9.03 -5.32 1
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165454 74552234 1 SN6O6C18H23 AB6C6D18E23 -3.8 4.21 0.0 0.0 0
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165455 74552235 1 SN6O6C18H22 AB6C6D18E22 -67.58 9.51 -8.81 -1.16 -1
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165456 74552580 1 N3O7H20C21 A3B7C20D21 -32.17 11.05 0.0 0.0 1
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165457 74552600 1 SN2C8H15 AB2C8D15 23.69 2.87 0.0 0.0 1
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165458 74552627 1 OF3N3C13H13 AB3C3D13E13 -117.54 6.22 0.0 0.0 1
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165459 74552628 1 FN3C12H13 AB3C12D13 31.81 3.11 0.0 0.0 2
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165460 74552678 1 ON4C24H38 AB4C24D38 101.93 22.87 -4.24 -1.44 0
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165461 74552752 1 SO2N4H16C19 AB2C4D16E19 45.65 7.28 -8.9 -2.33 1
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165462 74552823 1 ON4C27H37 AB4C27D37 28.42 3.38 0.0 0.0 0
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165463 74552920 1 NOC13H13 ABC13D13 23.77 3.78 -9.41 -1.94 1
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165464 74552921 1 ON3C19H36 AB3C19D36 -28.58 4.48 0.0 0.0 1
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165465 74552982 1 NO2C13H22 AB2C13D22 -42.53 2.49 0.0 0.0 1
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165466 74552983 1 NC6H14 AB6C14 29.11 2.73 0.0 0.0 1
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165467 74553163 1 ClON3C19H31 ABC3D19E31 -19.41 4.54 0.0 0.0 -1
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165468 74553416 1 FNO3H9C11 ABC3D9E11 -85.03 16.47 0.0 0.0 -1
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165469 74553449 1 N3O3C4H4 A3B3C4D4 -73.54 4.23 0.0 0.0 1
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165470 74553630 1 O2N5C25H34 A2B5C25D34 -5.52 5.79 0.0 0.0 1
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165471 74553631 1 O2N4C24H35 A2B4C24D35 -5.96 2.21 0.0 0.0 0
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165472 74553632 1 FON4C24H29 ABC4D24E29 -3.51 4.09 -8.94 0.01 0
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165473 74553633 2 N2O2C9H9 A2B2C9D9 -97.89 5.54 -9.05 -0.7 1
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165474 74553784 1 O2N6C26H27 A2B6C26D27 71.11 1.27 0.0 0.0 1
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165475 74553968 1 SF3N4C22H28 AB3C4D22E28 -59.77 1.86 0.0 0.0 2
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165476 74554033 1 ON6C19H30 AB6C19D30 76.73 21.9 -4.72 -1.02 1
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165477 74554673 1 ClFN4C23H23 ABC4D23E23 48.2 2.67 0.0 0.0 -1
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165478 74554674 1 N2O3C15H23 A2B3C15D23 -119.8 3.45 0.0 0.0 -1
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165479 74554681 1 BrSO3N4H10C16 ABC3D4E10F16 99.02 5.31 0.0 0.0 0
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165480 74554960 1 BrON2C15H17 ABC2D15E17 -18.22 6.63 -8.54 -0.07 -1
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165481 74555144 1 N3O6H14C22 A3B6C14D22 10.29 14.68 0.0 0.0 0
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165482 74555701 1 N3O3C18H23 A3B3C18D23 -82.86 3.72 -8.52 -1.25 1
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165483 74555702 1 N3O3C19H26 A3B3C19D26 -76.8 11.78 0.0 0.0 0
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165484 74555703 1 N3O3C19H25 A3B3C19D25 -90.29 4.74 -8.61 -1.26 0
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165485 74555765 1 O3N4C22H30 A3B4C22D30 -72.92 2.78 -8.34 -0.35 0
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165486 74556717 1 ClO2C12H13 AB2C12D13 -53.52 4.81 -9.43 -0.49 2
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165487 74556902 1 N5C28H41 A5B28C41 111.13 6.3 -6.53 -0.05 0
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165488 74557109 1 NSCl2C9H9 ABC2D9E9 13.71 1.21 -8.99 -0.6 0
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165489 74557220 1 O3N4C20H20 A3B4C20D20 -26.52 2.53 -9.22 -1.44 -2
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165490 74557444 1 BrN2O6H15C21 AB2C6D15E21 -85.46 14.98 -8.87 -2.5 -2
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165491 74557458 1 SN2O6H16C21 AB2C6D16E21 -17.91 32.82 -7.02 -4.37 1