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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410483 135083281 1 O2N3C17H23 A2B3C17D23 -23.15 6.97 -8.29 0.03 0
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410484 135083282 1 N2O2C18H29 A2B2C18D29 -59.75 2.85 0.0 0.0 0
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410485 135083283 1 ClNO5C12H14 ABC5D12E14 -158.22 6.18 -10.3 -1.4 0
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410488 135083286 1 Br2N2O2C17H22 A2B2C2D17E22 -67.47 5.77 -8.72 -1.27 0
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410489 135083287 1 NSO3C22H35 ABC3D22E35 -142.04 6.23 -7.98 -0.24 0
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410490 135083288 1 SeO4C10H14 AB4C10D14 -51.22 3.19 -9.21 -1.41 0
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410491 135083289 1 PO5H13C20 AB5C13D20 -112.55 3.7 -8.87 -1.09 0
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410492 135083290 1 BrFNO2H11C12 ABCD2E11F12 -71.75 4.92 -9.73 -0.95 0
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410493 135083291 1 CrO6H14C19 AB6C14D19 -83.18 2.1 -7.7 -0.71 0
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410494 135083292 1 CrFSiO5C16H19 ABCD5E16F19 -49.63 2.27 -7.22 -0.11 0
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410495 135083293 1 CrFNSiO4C14H14 ABCDE4F14G14 -207.95 3.62 -8.99 -0.6 0
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410496 135083294 1 CrNSO8H21C22 ABCD8E21F22 -116.96 5.17 -8.26 -0.71 0
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410497 135083295 1 NSO5C19H21 ABC5D19E21 -136.95 4.44 -9.45 -0.41 0
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410498 135083296 1 CrO7H14C15 AB7C14D15 -268.82 1.73 -8.19 -0.31 0
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410499 135083297 1 CrN2O3C12H12 AB2C3D12E12 34.53 3.59 -7.57 0.49 0
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410500 135083298 1 Br2O2N3H5C8 A2B2C3D5E8 60.52 4.35 -10.26 -2.09 0
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410501 135083299 1 P2O6C11H22 A2B6C11D22 -363.14 7.04 -10.42 0.04 0
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410502 135083300 1 P2O6C9H18 A2B6C9D18 -341.6 0.37 -10.02 0.2 0
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410503 135083301 1 P2O6C13H26 A2B6C13D26 -377.32 5.51 -9.97 0.17 0
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410506 135083304 1 BiBrOC14H14 ABCD14E14 36.93 3.66 -8.79 -1.03 0
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410507 135083305 1 AuPH24C27 ABC24D27 163.29 4.74 -7.97 -0.84 0
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410508 135083306 1 AuFPC12H19 ABCD12E19 -50.14 10.83 -8.35 0.92 -4
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410509 135083307 2 AuBrC8H18 ABC8D18 89.16 10.82 -9.44 -1.42 -4
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410511 135083309 1 AuClP2C13H32 ABC2D13E32 -13.42 28.41 -5.51 -2.17 0
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410512 135083310 1 AuPC14H26 ABC14D26 63.06 1.52 -8.42 -1.38 0
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410513 135083311 1 AuPC19H36 ABC19D36 132.16 3.32 -7.08 0.26 0
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410514 135083312 1 AuPC28H30 ABC28D30 129.01 5.36 -8.3 -0.45 0
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410515 135083313 1 AuPH44C51 ABC44D51 283.45 4.06 -7.92 -0.95 0
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410516 135083314 1 AuPO8H30C32 ABC8D30E32 -98.45 13.89 -6.76 -2.45 0
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410517 135083315 2 O4C7H8 A4B7C8 -306.29 2.32 -8.71 -0.42 0
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410519 135083317 1 O10C15H16 A10B15C16 -380.8 4.34 -8.96 -0.84 0
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410520 135083318 1 AuOPH18C21 ABCD18E21 136.28 4.3 -8.26 -0.79 0
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410521 135083319 1 AuFePH26C29 ABCD26E29 396.53 8.88 -7.05 -1.1 0
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410523 135083321 2 AuS2C3H6 AB2C3D6 99.41 5.47 -9.44 -2.65 0
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410524 135083322 1 ClSe2N3H4C8 AB2C3D4E8 135.23 5.43 -8.91 -2.81 0
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410525 135083323 1 LiSiN2P2C4H11 ABC2D2E4F11 -124.71 7.86 -7.61 0.73 0
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410526 135083324 2 OH6C7 AB6C7 -21.94 0.57 -8.92 -0.23 0
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410527 135083325 1 NOSC11H15 ABCD11E15 22.02 4.28 -8.83 -0.1 0
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410528 135083326 1 BSnC15H27 ABC15D27 35.41 0.87 -8.95 0.39 0
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410529 135083327 1 BSnC20H29 ABC20D29 63.64 1.44 -8.85 0.23 0
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410530 135083328 1 BSnC20H29 ABC20D29 68.77 1.32 -8.98 0.29 0
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410531 135083329 1 SO2H6C7 AB2C6D7 -33.11 2.2 -9.29 -2.14 0
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410532 135083330 1 O2C9H12 A2B9C12 -47.96 5.56 -9.79 -0.24 0
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410533 135083331 2 OC5H7 AB5C7 -55.99 4.97 -9.82 -0.22 0
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410534 135083332 2 OC15H22 AB15C22 -75.89 0.54 -9.5 -1.0 0
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410535 135083333 1 N2O2H20C23 A2B2C20D23 -2.23 7.43 -9.34 -1.71 0
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410536 135083334 1 N2O3H22C23 A2B3C22D23 -75.68 5.69 -9.43 -1.82 0
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410537 135083335 1 N2O2H20C23 A2B2C20D23 -7.41 5.89 -9.38 -1.77 0
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410538 135083337 1 O2C13H18 A2B13C18 -90.47 1.77 -9.36 0.37 0
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410539 135083338 1 AlO2H31C37 AB2C31D37 -53.45 2.09 -8.3 -0.57 0
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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