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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393661 135021448 1 SO2N3H13C17 AB2C3D13E17 83.65 8.14 -9.12 -1.41 0
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393662 135021449 1 SO2N3H13C17 AB2C3D13E17 84.41 7.61 -9.05 -1.39 0
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393663 135021450 1 SN2H16C18 AB2C16D18 79.51 1.62 -8.83 -0.64 1
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393664 135021452 1 NC24H26 AB24C26 73.23 1.34 0.0 0.0 0
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393665 135021453 2 O2C7H11 A2B7C11 -172.56 1.95 -8.78 0.22 0
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393666 135021454 1 ON2H16C17 AB2C16D17 34.8 2.32 -8.13 -0.09 0
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393667 135021455 1 N2O4H14C17 A2B4C14D17 -5.16 8.55 -9.86 -1.15 0
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393668 135021456 1 O2N3H17C20 A2B3C17D20 71.81 5.7 -8.85 -0.99 0
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393669 135021457 1 NO5H25C28 AB5C25D28 -91.03 2.98 -9.06 -1.42 0
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393670 135021458 1 NO3H17C22 AB3C17D22 -34.0 3.64 -9.06 -1.2 0
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393671 135021459 1 ClNO3H14C21 ABC3D14E21 -34.68 3.72 -9.33 -1.29 0
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393672 135021460 1 FNO3H14C21 ABC3D14E21 -73.02 3.76 -9.3 -1.27 0
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393673 135021461 1 N2O5H14C21 A2B5C14D21 -27.78 6.26 -9.55 -1.86 0
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393674 135021462 1 FN2O5H13C21 AB2C5D13E21 -75.84 5.92 -9.66 -1.88 0
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393675 135021463 1 NO3F4H13C22 AB3C4D13E22 -229.97 7.76 -9.82 -1.31 0
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393676 135021464 1 NO3F4H13C22 AB3C4D13E22 -234.65 4.46 -9.7 -1.47 0
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393677 135021465 1 N2F3O5H13C22 A2B3C5D13E22 -189.18 4.25 -9.95 -1.98 0
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393678 135021466 1 N2F4O5H12C22 A2B4C5D12E22 -230.96 1.58 -10.27 -2.2 0
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393679 135021467 1 NO3F4H13C22 AB3C4D13E22 -234.51 3.91 -9.53 -1.44 0
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393680 135021468 1 NSO4H21C24 ABC4D21E24 -96.83 6.12 -9.09 -0.64 0
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393681 135021469 1 NSO5H29C32 ABC5D29E32 -117.47 7.01 -8.57 -0.56 0
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393682 135021470 1 SN2F3O4H17C20 AB2C3D4E17F20 -257.29 5.86 -9.38 -0.93 0
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393683 135021472 1 N3H25C27 A3B25C27 161.31 5.73 -8.78 -0.93 0
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393684 135021473 1 ON3H19C24 AB3C19D24 144.68 5.74 -8.81 -0.9 0
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393685 135021474 1 N3H15C19 A3B15C19 176.57 5.65 -8.9 -0.92 0
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393686 135021475 1 N3C19H25 A3B19C25 91.22 5.72 -9.21 -0.19 0
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393687 135021476 1 N3C23H29 A3B23C29 75.45 5.79 -9.13 -0.14 0
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393688 135021477 1 O2N3H25C27 A2B3C25D27 106.36 6.93 -9.17 -0.7 0
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393689 135021478 1 O2N4H16C23 A2B4C16D23 181.49 7.55 -9.08 -1.61 0
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393690 135021479 1 SiO4C19H30 AB4C19D30 -207.17 3.07 -8.7 -0.02 0
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393691 135021481 1 NOSiC15H27 ABCD15E27 -68.19 2.05 -8.2 0.46 0
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393692 135021482 1 NO4H17C19 AB4C17D19 -105.73 5.37 -8.96 -0.43 0
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393693 135021483 1 NO4C20H21 AB4C20D21 -117.59 7.19 -8.54 -0.12 0
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393694 135021484 1 NO4H19C20 AB4C19D20 -121.81 6.02 -9.67 -0.16 0
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393695 135021488 1 NO2C17H21 AB2C17D21 -91.92 5.52 -9.52 -0.01 0
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393696 135021489 1 N2O6C15H30 A2B6C15D30 -277.14 3.46 -9.36 0.59 0
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393697 135021490 1 N2S2O9C37H70 A2B2C9D37E70 -505.12 5.68 -8.94 -0.91 0
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393698 135021491 1 SN2O7C17H32 AB2C7D17E32 -325.26 2.6 -8.91 0.16 1
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393699 135021492 1 ClNPH20C24 ABCD20E24 107.0 7.88 0.0 0.0 0
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393700 135021493 4 OH3C4 AB3C4 -97.13 2.51 -8.89 -1.04 0
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393701 135021494 1 SO3C14H16 AB3C14D16 -114.27 3.05 -8.49 -1.06 0
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393702 135021495 1 SiO2C26H28 AB2C26D28 -32.92 2.19 -9.11 -0.12 0
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393703 135021496 1 SiO4C15H32 AB4C15D32 -278.43 2.15 -8.98 1.09 0
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393704 135021497 1 SiO5C23H44 AB5C23D44 -332.04 1.4 -8.72 -0.38 0
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393705 135021498 1 NO3C13H17 AB3C13D17 -116.02 5.23 -10.35 0.07 0
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393706 135021499 1 OPN2H17C21 ABC2D17E21 72.8 5.12 -9.17 -0.86 0
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393707 135021500 1 PN2O2H17C21 AB2C2D17E21 39.92 3.07 -8.97 -0.71 0
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393708 135021501 1 PN2O2H17C21 AB2C2D17E21 43.59 4.57 -9.01 -0.75 0
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393709 135021502 1 OPN3H20C22 ABC3D20E22 81.73 5.88 -8.48 -0.77 0
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393710 135021503 1 OPN2F3H14C21 ABC2D3E14F21 -79.77 4.68 -9.12 -1.52 0