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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379460 134426573 1 ON2C15H18 AB2C15D18 -7.22 5.32 -8.74 0.21 0
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379461 134433960 1 SO2C8H14 AB2C8D14 -106.97 2.71 -8.66 0.65 0
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379462 134434025 1 BrFNO2S2C19H21 ABCD2E2F19G21 -63.33 7.47 -8.48 -0.52 0
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379463 134434042 1 NOH13C24 ABC13D24 104.76 0.86 -8.35 -0.97 0
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379464 134434095 1 SN5H29C53 AB5C29D53 314.31 7.2 -8.01 -1.46 0
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379465 134434099 1 N2H30C53 A2B30C53 268.62 3.1 -7.88 -0.9 0
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379466 134434211 1 N2S2O4F7C27H27 A2B2C4D7E27F27 -461.74 7.02 -9.13 -1.11 0
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379467 134434245 1 ClN2F3O3C29H34 AB2C3D3E29F34 -267.53 5.15 -9.34 -0.38 0
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379468 134434266 1 SO2N5C22H23 AB2C5D22E23 23.04 1.84 -8.09 -0.54 0
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379469 134434291 1 FO2S2N3H10C13 AB2C2D3E10F13 -43.6 4.52 -9.46 -1.64 0
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379470 134434312 1 SO2N4C20H22 AB2C4D20E22 -22.08 4.84 -8.63 -1.12 0
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379471 134434359 1 ON2C14H20 AB2C14D20 -37.91 4.57 -8.76 0.09 0
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379472 134434361 1 ON2C15H22 AB2C15D22 -45.63 3.99 -8.58 0.12 0
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379473 134434477 1 OF2N4C20H30 AB2C4D20E30 -126.13 4.49 -8.54 -0.79 0
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379474 134434631 1 ClON3C14H20 ABC3D14E20 -33.8 2.83 -8.52 -0.91 0
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379475 134434794 1 O3N6C25H30 A3B6C25D30 -29.14 8.39 -8.36 -0.92 0
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379476 134434815 1 ClON6C18H21 ABC6D18E21 53.08 8.47 -8.36 -0.92 0
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379477 134435030 2 NOC7H13 ABC7D13 -118.63 2.01 -8.73 0.86 0
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379478 134435037 1 FO3N6H23C25 AB3C6D23E25 -3.79 5.39 -8.97 -1.08 0
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379479 134435038 2 NOC9H14 ABC9D14 -110.45 3.28 -8.65 0.34 0
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379480 134435261 1 ON3C17H27 AB3C17D27 -39.21 3.45 -8.56 -0.12 0
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379481 134435272 1 ON3C13H27 AB3C13D27 -85.89 3.69 -8.7 1.04 0
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379482 134435567 1 N3C16H23 A3B16C23 26.96 5.29 -8.33 -0.02 0
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379483 134435612 1 O2N4C17H34 A2B4C17D34 -129.72 1.38 -8.6 0.83 0
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379484 134435866 1 ON3C13H25 AB3C13D25 -54.42 3.27 -8.72 0.94 0
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379485 134436024 1 O4N7C30H39 A4B7C30D39 -80.81 2.86 -8.56 -1.02 0
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379486 134436057 1 O3N5C29H31 A3B5C29D31 6.31 4.87 -8.45 -1.13 0
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379487 134436171 1 N3C10H21 A3B10C21 6.58 1.57 -8.31 2.42 0
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379488 134436181 2 O2N3C16H18 A2B3C16D18 -45.29 7.2 -8.57 -1.07 0
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379489 134436190 1 ON3C13H19 AB3C13D19 17.26 1.55 -8.48 -0.01 0
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379490 134436481 1 O2N7C29H37 A2B7C29D37 12.49 4.42 -8.39 -0.94 0
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379491 134436517 1 O3N6C20H22 A3B6C20D22 3.91 5.89 -8.66 -1.23 0
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379492 134436593 1 ON2C13H24 AB2C13D24 -74.5 3.49 -8.41 1.09 0
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379493 134436601 1 ON6C26H34 AB6C26D34 60.39 5.17 -8.3 -0.9 0
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379494 134436617 1 O2N7H25C26 A2B7C25D26 96.75 5.87 -8.27 -1.03 0
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379495 134436623 1 ClF2O3N6C28H29 AB2C3D6E28F29 -84.98 4.19 -8.41 -0.89 0
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379496 134436624 1 ClO3N8C31H33 AB3C8D31E33 65.03 5.83 -8.49 -1.09 0
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379497 134436670 1 O2N7C25H31 A2B7C25D31 35.48 4.58 -8.55 -1.1 0
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379498 134436858 1 BrN2H17C26 AB2C17D26 137.29 1.13 -8.85 -1.02 0
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379499 134436871 1 BrNH12C22 ABC12D22 126.88 1.78 -8.46 -1.22 0
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379500 134436876 1 O3N7C28H29 A3B7C28D29 57.79 5.01 -8.44 -1.01 0
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379501 134436877 1 O3N7C27H27 A3B7C27D27 66.97 4.82 -8.49 -1.09 0
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379502 134436933 1 O2N7C28H29 A2B7C28D29 67.59 5.3 -8.76 -1.3 0
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379503 134437043 1 O4N7C29H31 A4B7C29D31 -21.81 7.97 -8.78 -1.14 0
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379504 134437073 1 FO3N7C29H30 AB3C7D29E30 9.19 5.5 -8.47 -0.97 0
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379506 134437837 1 ClSF3H8C9 ABC3D8E9 -158.01 3.24 -9.33 -1.08 0
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379507 134437865 1 OF6H20C29 AB6C20D29 -253.78 8.4 -9.07 -1.15 0
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379508 134437885 2 OSC6H8 ABC6D8 -86.76 1.38 -9.21 -1.55 0
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379509 134437896 1 NOC11H13 ABC11D13 -3.05 3.38 -9.35 -0.56 0
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379510 134437902 1 ClIN3H13C16 ABC3D13E16 86.55 3.39 -9.41 -1.24 0
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379511 134437966 1 O2N7C19H21 A2B7C19D21 24.88 3.82 -9.34 -1.2 0
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379512 134438079 1 ClFS2N3O5C26H31 ABC2D3E5F26G31 -186.21 4.32 -8.76 -0.79 1
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379513 134438230 1 PC2N2O2H6 AB2C2D2E6 -67.05 1.34 0.0 0.0 0
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379514 134438355 1 N2F3C17H25 A2B3C17D25 -153.81 6.11 -8.82 -0.16 0
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379515 134438436 2 N2H15C24 A2B15C24 251.18 0.49 -8.05 -1.24 0
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379516 134438739 1 SN3H27C39 AB3C27D39 200.89 6.27 -7.86 -0.58 0
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379517 134438859 1 SF2O4N5C21H21 AB2C4D5E21F21 -156.05 5.72 -9.07 -1.04 0
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379518 134439055 1 O2N3C21H29 A2B3C21D29 -66.0 5.07 -9.08 0.14 0
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379519 134439221 1 ClN2O2F3C24H26 AB2C2D3E24F26 -202.33 2.28 -9.16 -0.94 0
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379520 134439246 1 FNO2H10C12 ABC2D10E12 -91.4 4.49 -8.66 -0.98 0
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379521 134439877 2 ON2H10C12 AB2C10D12 39.59 3.98 -8.79 -1.27 0
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379522 134439885 1 ClO2F3N7H25C26 AB2C3D7E25F26 -83.7 7.09 -8.94 -1.21 0
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379523 134439979 1 FN7C21H22 AB7C21D22 115.1 5.61 -8.6 -1.15 0
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379524 134440022 1 FN7C21H22 AB7C21D22 72.8 2.46 -9.03 -0.55 0
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379525 134440030 1 FCl2N7H20C22 AB2C7D20E22 97.62 4.42 -9.01 -0.73 0
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379526 134440340 1 FON7C26H28 ABC7D26E28 117.65 7.28 -8.62 -1.01 0
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379527 134440341 1 OH16C25 AB16C25 57.05 1.7 -8.5 -0.87 0
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379528 134440521 1 F2O2N7C23H23 A2B2C7D23E23 -29.26 5.2 -8.8 -1.11 0
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379529 134440522 1 FOCl2N7H20C21 ABC2D7E20F21 34.47 5.2 -9.02 -0.87 0
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379531 134440789 1 FO2N9C26H26 AB2C9D26E26 78.94 4.88 -8.97 -1.32 0
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379532 134440814 2 N4C11H11 A4B11C11 160.95 1.31 -8.61 -1.12 0
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379533 134441552 1 ClN2F3H18C19 AB2C3D18E19 -84.55 3.2 -8.63 -0.5 0
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379534 134441611 1 F2N2C21H24 A2B2C21D24 -53.94 1.39 -8.14 0.03 0
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379535 134441703 1 NCl3H20C21 AB3C20D21 43.69 4.18 -8.5 -0.37 0
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379536 134441781 1 O2N4H18C21 A2B4C18D21 57.8 7.59 -9.77 -1.6 0
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379537 134441787 1 Cl5H5C9 A5B5C9 1.27 2.57 -9.71 -0.86 0
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379538 134441807 1 ClN2F3C32H34 AB2C3D32E34 -95.38 4.97 -8.35 -0.13 0
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379539 134441842 1 SN2Cl3F7H18C24 AB2C3D7E18F24 -261.63 4.9 -8.56 -0.92 0
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379540 134441989 2 N2H4C5 A2B4C5 83.12 3.83 -9.0 -1.22 0
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379541 134441998 1 N2F4H12C15 A2B4C12D15 -126.86 2.35 -8.52 -0.71 0
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379542 134442768 1 NH35C45 AB35C45 157.72 1.79 -8.04 -0.73 0
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379543 134442833 1 NO2F3C19H20 AB2C3D19E20 -224.29 3.83 -9.18 -0.84 0
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379544 134442968 1 SF5N6H21C24 AB5C6D21E24 -158.72 3.64 -9.02 -1.08 0
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379545 134443169 1 NO4C14H29 AB4C14D29 -207.54 2.11 -9.8 1.16 0
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379546 134443877 1 ClSO3F6N7H34C38 ABC3D6E7F34G38 -220.84 8.77 -7.97 -1.02 0
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379547 134443933 1 N2F6C15H20 A2B6C15D20 -314.17 5.02 -10.36 -0.39 0
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379548 134444210 1 NOC6H11 ABC6D11 1.03 0.9 -9.04 0.21 0
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379549 134444224 1 O2C13H24 A2B13C24 -125.82 1.2 -10.04 1.04 0
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379550 134444240 1 NSO2C10H15 ABC2D10E15 -55.96 1.98 -8.53 -0.41 0
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379551 134444242 1 S2N4C21H22 A2B4C21D22 115.69 4.26 -8.23 0.02 0
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379552 134444317 1 O4N5C18H21 A4B5C18D21 -88.34 2.64 -9.2 -0.94 0
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379553 134444339 1 BrFO4N5H31C32 ABC4D5E31F32 -118.09 2.64 -8.92 -0.79 0
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379554 134444354 1 SN6O11C29H44 AB6C11D29E44 -450.19 11.98 -8.5 -1.16 0
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379555 134444554 1 IC10H11 AB10C11 45.07 2.42 -9.07 -0.92 0
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379556 134444556 1 NOPH28C39 ABCD28E39 106.22 7.02 -8.41 -0.93 0
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379557 134444557 1 N3C9H17 A3B9C17 15.49 0.54 -8.36 0.15 0
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379558 134444565 1 NO2C13H17 AB2C13D17 -80.8 2.56 -9.5 0.13 0
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379559 134444566 1 NSO2C12H21 ABC2D12E21 -84.25 2.15 -9.15 -1.66 0
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379560 134444567 1 N3O4C34H51 A3B4C34D51 -214.17 3.16 -8.38 -0.9 0
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379561 134444882 1 N2O3H14C16 A2B3C14D16 45.8 5.86 -9.14 -1.15 0