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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410540 135083339 1 AlO2H31C37 AB2C31D37 -50.06 0.7 -8.36 -0.53 0
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410541 135083340 1 AlO2H31C45 AB2C31D45 32.15 1.1 -8.43 -0.7 0
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410543 135083342 1 O3C11H18 A3B11C18 -162.97 0.95 -9.9 2.1 0
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410544 135083343 1 SiN2O2C12H16 AB2C2D12E16 -20.47 7.7 -8.38 -1.15 1
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410545 135083344 1 SiN2O2C12H17 AB2C2D12E17 -29.85 5.35 0.0 0.0 0
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410546 135083345 1 O3C8H12 A3B8C12 -139.02 6.21 -10.68 0.7 0
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410547 135083346 1 NO2F3C7H10 AB2C3D7E10 -214.6 3.18 -9.78 -0.22 0
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410548 135083347 1 N2O2H14C17 A2B2C14D17 59.62 3.25 -8.25 -1.84 0
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410550 135083349 1 ON4C8H14 AB4C8D14 35.88 7.14 -9.13 -0.47 0
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410553 135083352 1 N11O11C19H36 A11B11C19D36 32.08 8.81 0.0 0.0 0
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410560 135083360 1 PtP2C17H38 AB2C17D38 -10.54 4.63 -8.59 -1.55 0
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410563 135083363 1 NPtO3C39H41 ABC3D39E41 55.44 4.37 -9.2 -1.0 0
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410566 135083366 1 AsPtCl2H17C20 ABC2D17E20 202.99 4.03 -8.86 -2.76 0
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410567 135083367 1 AsH17C20 AB17C20 114.61 0.57 -8.69 0.18 0
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410568 135083368 1 PtSCl2C5H10 ABC2D5E10 33.75 2.7 -9.75 -2.41 0
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410569 135083369 1 BC9H17 AB9C17 -30.81 0.87 -9.29 0.55 0
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410570 135083370 1 BC11H13 AB11C13 19.71 0.69 -9.38 -0.37 0
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410571 135083371 1 BNC7H14 ABC7D14 -32.6 2.77 -8.96 1.76 0
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410572 135083372 1 BC13H21 AB13C21 -13.31 0.76 -8.46 0.6 0
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410573 135083373 1 BC15H17 AB15C17 36.99 0.55 -8.55 -0.34 0
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410574 135083374 1 NO2C26H27 AB2C26D27 6.89 3.06 -9.3 0.05 1
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410575 135083375 1 KNC16H16 ABC16D16 38.51 8.47 -6.07 -0.01 0
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410576 135083376 1 NC16H16 AB16C16 79.83 1.65 0.0 0.0 1
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410577 135083377 1 NK2O2C12H21 AB2C2D12E21 -145.05 7.67 -5.3 0.68 0
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410578 135083378 1 NO2C12H22 AB2C12D22 -105.17 1.91 0.0 0.0 0
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410579 135083379 2 OC6H10 AB6C10 -105.43 3.63 -9.55 0.36 1
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410580 135083380 1 NS2H16C17 AB2C16D17 70.8 4.78 0.0 0.0 0
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410581 135083381 1 SN2H18C22 AB2C18D22 117.75 5.54 -7.81 -0.77 1
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410582 135083382 1 SN2H19C22 AB2C19D22 105.92 3.64 0.0 0.0 0
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410583 135083383 1 SN2Cl3O3H13C16 AB2C3D3E13F16 -91.07 2.39 -9.87 -1.63 0
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410584 135083384 1 SN2O7H10C14 AB2C7D10E14 -128.32 5.13 -10.64 -2.53 0
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410585 135083385 1 SN3C6H7 AB3C6D7 68.21 3.37 -9.17 -0.75 0
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410586 135083386 1 ClLiNSH7C9 ABCDE7F9 23.71 7.31 -7.76 -0.21 0
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410587 135083387 1 ClNSH8C9 ABCD8E9 28.06 3.17 -8.02 -0.2 0
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410588 135083388 1 F3N3O5C7H10 A3B3C5D7E10 -237.12 4.24 -10.04 -1.41 0
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410589 135083389 1 NP2O4C34H61 AB2C4D34E61 -356.2 4.74 -9.36 1.01 0
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410590 135083390 1 OPC10H17 ABC10D17 -101.94 5.22 -9.09 1.24 0
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410591 135083391 2 OPC20H34 ABC20D34 -243.13 7.03 -8.92 2.18 0
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410592 135083392 1 P2O3C32H56 A2B3C32D56 -281.02 4.75 -9.32 2.28 0
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410593 135083393 1 O2P2C31H54 A2B2C31D54 -232.1 5.43 -9.12 2.16 0
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410594 135083394 2 OPC12H21 ABC12D21 -228.45 3.19 -9.35 2.52 0
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410595 135083395 1 RuCl2N2P2H56C62 AB2C2D2E56F62 279.91 12.68 -7.74 -0.43 0
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410597 135083397 1 FeO3C16H20 AB3C16D20 -70.6 4.37 -8.72 -0.16 0
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410598 135083398 1 FeNOC17H21 ABCD17E21 175.06 4.32 -7.98 -0.24 0
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410599 135083399 1 FeNOC22H27 ABCD22E27 217.56 3.27 -6.31 -3.34 0
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410600 135083400 1 FeNOC17H23 ABCD17E23 49.9 11.83 -6.67 0.17 0
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410601 135083401 1 NOC12H18 ABC12D18 5.1 0.93 0.0 0.0 0
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410602 135083402 1 NO5C25H27 AB5C25D27 -142.53 3.19 -8.19 -0.35 0
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410603 135083403 2 N4O4H5C8 A4B4C5D8 124.5 5.94 -10.73 -2.33 0
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410604 135083404 2 ClN3O4H5C7 AB3C4D5E7 43.53 7.77 -10.43 -2.26 0
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410605 135083405 1 N3O4H13C14 A3B4C13D14 34.38 5.35 -9.66 -1.59 0
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410606 135083406 1 N3O4C15H15 A3B4C15D15 29.86 5.49 -9.74 -1.58 0
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410607 135083407 1 N3O4C15H15 A3B4C15D15 27.15 5.42 -9.91 -1.58 0
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410608 135083408 2 N3O4C8H8 A3B4C8D8 33.4 8.35 -10.35 -1.65 0
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410609 135083409 2 ClH4N4O6C7 AB4C4D6E7 45.35 5.18 -11.07 -2.87 0
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410610 135083410 1 N3O4C16H17 A3B4C16D17 23.63 5.46 -9.71 -1.59 0
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410611 135083411 1 N3O4H13C15 A3B4C13D15 58.7 5.13 -9.77 -1.57 0
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410612 135083412 1 ON2C7H12 AB2C7D12 20.14 5.3 -9.25 -0.22 0
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410613 135083413 2 ClN4O4H6C8 AB4C4D6E8 89.52 3.07 -10.59 -2.17 0
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410614 135083414 2 Cl2N3H4O4C7 A2B3C4D4E7 27.93 7.38 -10.4 -2.14 0
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410615 135083415 2 ClN3O4H7C8 AB3C4D7E8 18.87 2.48 -10.24 -1.97 0
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410616 135083416 2 H4N5O6C8 A4B5C6D8 135.38 1.6 -11.37 -2.96 0
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410617 135083417 2 N4O6H7C8 A4B6C7D8 38.41 8.33 -10.59 -2.5 0
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410618 135083418 1 N8H12O12C15 A8B12C12D15 48.54 3.63 -11.3 -2.74 0
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410619 135083419 1 N8O8H14C17 A8B8C14D17 102.44 8.3 -10.74 -2.34 0
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410620 135083420 1 Cl2N6O8H12C15 A2B6C8D12E15 28.32 7.24 -10.22 -2.29 0
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410621 135083421 1 N6O8C17H18 A6B8C17D18 27.61 13.03 -10.45 -1.93 0
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410622 135083422 1 Cl2N8H10O12C15 A2B8C10D12E15 37.17 5.47 -10.76 -2.98 0
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410623 135083423 1 FN9C10O14H16 AB9C10D14E16 -52.09 6.57 -11.2 -2.56 0
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410624 135083424 1 FN9C11O14H18 AB9C11D14E18 -56.95 6.09 -11.06 -2.54 0
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410625 135083425 1 Cl2N8O8H10C17 A2B8C8D10E17 109.41 5.09 -10.78 -2.7 0
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410626 135083426 2 NOC7H7 ABC7D7 39.52 5.04 -9.38 -0.53 -1
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410628 135083428 1 ZrC21H26 AB21C26 79.49 0.37 -6.14 -0.52 -1
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410630 135083430 1 OZrC22H33 ABC22D33 115.89 2.75 0.0 0.0 0
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410631 135083431 1 HfC14H18 AB14C18 25.31 3.8 -7.92 -2.21 -1
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410632 135083432 1 ZrC23H32 AB23C32 143.23 2.84 -5.89 -0.91 -1
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410633 135083433 1 ZrC28H34 AB28C34 48.7 1.55 -6.69 -1.61 -1
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410634 135083434 1 ZrC22H30 AB22C30 24.28 1.02 -6.95 -1.57 0
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410635 135083435 1 LiOC6H9 ABC6D9 -1.6 20.0 -6.27 -0.22 0
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410636 135083436 1 LiOC8H11 ABC8D11 -53.78 5.73 -7.68 2.42 0
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410637 135083438 1 LiOC9H13 ABC9D13 -68.97 5.53 -7.63 2.51 0
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410638 135083439 1 OC9H14 AB9C14 -48.41 0.59 -8.88 1.3 0
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410639 135083440 1 LiOC11H17 ABC11D17 -85.85 5.55 -7.64 2.53 0
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410640 135083441 1 OC11H18 AB11C18 -21.39 1.58 -7.86 0.37 0
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410641 135083442 1 LiOC10H13 ABC10D13 -58.79 6.36 -7.36 1.31 0
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410642 135083443 1 OC10H14 AB10C14 -42.95 3.35 -8.42 0.47 -4
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410643 135083444 1 SP3N6O16C20H29 AB3C6D16E20F29 -624.8 3.82 -9.47 -2.25 0
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410644 135083445 1 SP3N6O16C20H33 AB3C6D16E20F33 -863.88 5.54 -9.42 -0.89 0
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410645 135083446 1 ClNOC6H14 ABCD6E14 -64.32 2.25 -10.04 1.5 0
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410648 135083449 1 CrPSO3H21C27 ABCD3E21F27 165.09 1.82 -7.74 -0.97 0
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410649 135083450 1 PSH21C24 ABC21D24 88.07 1.69 -8.39 0.13 0
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410650 135083451 1 CrNPO3H22C27 ABCD3E22F27 71.1 3.11 -7.34 0.14 0
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410651 135083452 1 NPH22C24 ABC22D24 82.66 2.98 -8.49 0.04 0
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410652 135083453 1 CrNPO3H24C28 ABCD3E24F28 84.57 3.73 -7.94 -0.8 0
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410653 135083454 1 NPH24C25 ABC24D25 83.56 2.59 -8.38 0.17 0
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410654 135083455 1 CrPO4H21C28 ABC4D21E28 8.93 1.96 -7.84 0.06 0
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410655 135083456 1 CrNPO3H24C25 ABCD3E24F25 42.75 3.49 -8.35 -0.4 0
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410656 135083457 1 ClCrPO3H18C23 ABCD3E18F23 71.42 3.37 -7.67 -0.31 0
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410657 135083458 1 ClPH18C20 ABC18D20 45.19 3.16 -8.66 -0.1 0
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410658 135083459 1 BrSiH18C43F63 ABC18D43E63 -3131.0 2.89 -9.92 -1.09 -1