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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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409554 135082336 1 N6O15C23H30 A6B15C23D30 -616.84 6.3 -9.91 -1.32 0
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409555 135082337 1 N6O13C23H32 A6B13C23D32 -535.93 10.28 -9.59 -0.5 0
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409556 135082338 1 N6O13C22H30 A6B13C22D30 -524.01 9.02 -10.13 -0.98 0
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409557 135082339 1 ON2C11H18 AB2C11D18 4.12 1.39 -8.9 0.4 0
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409558 135082340 2 O3C22H22 A3B22C22 5.77 4.32 -8.03 -1.25 0
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409559 135082341 2 SO2C7H9 AB2C7D9 -164.82 3.02 -9.13 -1.08 0
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409560 135082342 1 LiO2F3C12H12 AB2C3D12E12 -231.19 10.59 -8.72 0.6 0
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409561 135082343 1 N2O2C19H20 A2B2C19D20 -22.3 4.16 -8.4 -1.02 0
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409562 135082344 1 O4C19H26 A4B19C26 -173.44 2.24 -9.38 -0.37 0
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409563 135082345 1 N4O5C10H14 A4B5C10D14 -163.41 3.87 -9.62 -0.79 0
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409564 135082346 1 LiN2H3C8 AB2C3D8 94.1 2.42 -9.54 -0.37 0
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409565 135082347 1 TeS2H4C5 AB2C4D5 34.47 1.97 -8.54 -2.22 0
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409566 135082348 1 SSe2H4C5 AB2C4D5 89.26 2.41 -7.94 -2.05 0
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409567 135082349 4 ClP2H15C19 AB2C15D19 215.28 21.74 -6.78 -0.42 0
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409568 135082350 1 ClFON5C10H11 ABCD5E10F11 -29.07 4.24 -9.18 -0.72 1
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409569 135082351 1 S2H7C11 A2B7C11 57.31 2.02 0.0 0.0 1
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409570 135082352 1 S2C6H7 A2B6C7 15.71 3.08 0.0 0.0 0
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409571 135082353 1 OSH6C9 ABC6D9 23.77 5.42 -8.76 -1.51 1
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409572 135082354 1 OSH7C9 ABC7D9 6.09 0.55 0.0 0.0 0
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409573 135082355 2 NC6H12 AB6C12 5.27 0.99 -7.68 1.55 0
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409574 135082356 1 AuPF4H16C24 ABC4D16E24 -75.13 11.23 -9.08 -0.82 0
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409575 135082357 1 AuNSbO2H19C24 ABCD2E19F24 300.07 4.46 -8.39 -1.4 0
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409577 135082359 1 AsAuF3H17C24 ABC3D17E24 75.86 0.08 -8.6 -1.2 0
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409579 135082361 1 AsAuF2H18C24 ABC2D18E24 117.07 0.73 -8.64 -1.19 0
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409580 135082362 1 AuPCl4H16C24 ABC4D16E24 112.55 6.5 -8.86 -1.29 0
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409582 135082364 1 AuClPH19C24 ABCD19E24 271.14 6.9 -8.06 -2.73 0
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409583 135082365 1 AuIPH19C24 ABCD19E24 153.8 6.0 -6.93 -1.01 0
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409584 135082366 1 BiClSO2C17H20 ABCD2E17F20 -36.42 7.11 -9.45 -1.3 0
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409585 135082367 1 AuNC16H24 ABC16D24 124.57 2.99 -9.33 -1.16 0
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409586 135082368 1 AuNC17H26 ABC17D26 119.17 2.39 -9.37 -1.15 -4
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409587 135082369 2 AuO2C4H10 AB2C4D10 -63.06 12.87 -6.92 -1.59 0
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409589 135082371 1 AuPO2C19H22 ABC2D19E22 -18.15 11.41 -7.58 -1.8 0
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409590 135082372 1 AuPO2C23H40 ABC2D23E40 -11.91 1.7 -8.2 -1.81 0
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409591 135082373 1 BrMgNOH8C9 ABCDE8F9 -42.25 5.38 -9.42 -0.67 0
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409592 135082374 1 BeC8H12 AB8C12 83.46 2.21 -7.24 0.86 0
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409595 135082377 1 NO2C32H67 AB2C32D67 -188.97 20.01 -7.28 -0.76 0
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409596 135082378 1 BrNSe2C10H12 ABC2D10E12 54.6 3.86 -7.44 -0.45 0
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409597 135082379 1 CrC16H16 AB16C16 199.5 0.5 -7.6 -0.31 0
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409605 135082387 32 CH AB 127.8 0.69 -8.18 -1.05 0
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409609 135082391 1 OC9H11 AB9C11 4.29 2.22 0.0 0.0 -3
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409610 135082392 3 C14H19 A14B19 119.12 3.37 0.0 0.0 0
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409611 135082393 2 C7H10 A7B10 23.96 0.98 -8.76 0.66 0
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409612 135082394 1 O3N5C69H69 A3B5C69D69 228.35 13.01 -7.04 -2.73 0
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409613 135082395 1 O3C12H16 A3B12C16 -120.41 3.79 -9.58 0.28 0
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409614 135082396 1 Si2O3C17H34 A2B3C17D34 -251.56 3.6 -8.74 0.6 0
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409615 135082397 1 O4C11H12 A4B11C12 -127.0 5.7 -10.97 -0.35 0
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409616 135082398 2 O2H7C8 A2B7C8 -109.21 6.04 -8.84 -1.56 0
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409617 135082399 1 O5H14C17 A5B14C17 -143.4 6.08 -8.92 -1.8 0
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409618 135082400 1 O5C18H18 A5B18C18 -143.61 8.52 -8.71 -1.5 0
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409619 135082401 1 NOC14H19 ABC14D19 -19.38 2.1 -7.88 0.57 0
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409620 135082402 1 ClNOC13H16 ABCD13E16 -19.65 3.7 -8.69 0.06 0
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409621 135082403 1 BO6C18H29 AB6C18D29 -355.81 4.61 -10.23 0.0 0
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409622 135082404 1 O5H22C25 A5B22C25 -113.63 1.32 -8.06 -1.0 0
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409623 135082405 1 SN2O4C10H10 AB2C4D10E10 -120.49 4.91 -10.45 -0.92 0
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409624 135082406 1 SN2O4C11H12 AB2C4D11E12 -132.08 6.02 -10.34 -0.77 0
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409625 135082407 1 PtSeBr2C10H18 ABC2D10E18 74.2 5.96 -8.82 -2.6 0
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409626 135082408 1 PtSeI2C10H18 ABC2D10E18 71.97 3.03 -8.81 -3.71 0
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409627 135082409 1 BO2C11H13 AB2C11D13 -105.09 2.46 -8.68 0.14 0
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409628 135082410 1 BH19C22 AB19C22 76.87 1.0 -8.79 -0.65 0
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409629 135082411 1 BC14H17 AB14C17 5.25 0.26 -8.54 -0.3 0
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409630 135082412 1 BC25H43 AB25C43 -35.34 0.9 -9.34 0.41 0
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409631 135082413 1 BC17H17 AB17C17 43.19 0.65 -8.84 0.24 0
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409632 135082414 1 BH19C22 AB19C22 74.18 0.74 -8.94 -0.54 0
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409633 135082415 1 BC20H23 AB20C23 22.22 1.0 -8.93 0.12 0
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409635 135082417 1 BNC18H20 ABC18D20 19.63 2.74 -8.77 0.45 0
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409636 135082418 1 BNC20H24 ABC20D24 6.02 2.66 -8.8 0.46 0
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409637 135082419 1 BNC22H28 ABC22D28 -4.78 2.66 -8.82 0.48 1
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409638 135082420 1 KC11H19 AB11C19 18.89 8.81 -5.3 0.26 0
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409639 135082421 1 C11H19 A11B19 14.22 0.41 0.0 0.0 0
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409640 135082422 1 KNF3H3C6 ABC3D3E6 -150.52 6.18 -7.62 0.3 0
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409641 135082423 1 FKNH3C5 ABCD3E5 -13.07 8.59 -7.53 0.41 0
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409642 135082424 1 K2O2H8C13 A2B2C8D13 -97.52 6.44 -6.91 0.76 0
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409643 135082425 1 KF3H6C11 AB3C6D11 -135.77 7.42 -7.67 0.25 0
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409644 135082426 1 CPSH2N2 ABCD2E2 30.34 2.94 0.0 0.0 1
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409645 135082427 1 PH2N4 AB2C4 56.36 1.6 0.0 0.0 0
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409646 135082428 1 HPN4 ABC4 75.08 3.82 -10.52 -2.01 0
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409647 135082429 1 NOS2H15C19 ABC2D15E19 79.53 12.28 -7.64 -1.96 0
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409648 135082430 2 N2O3C19H25 A2B3C19D25 -280.44 4.03 -8.37 0.58 0
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409649 135082431 1 N4O5C36H46 A4B5C36D46 -213.13 3.59 -8.43 -0.27 0
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409650 135082432 2 N2O2C19H23 A2B2C19D23 -92.63 2.64 -7.63 -1.42 0
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409651 135082433 1 N3H5C8 A3B5C8 116.04 4.79 -9.35 -1.74 0
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409652 135082434 1 N2H8C11 A2B8C11 124.95 0.75 -8.46 -1.0 0
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409653 135082435 1 N2H8C11 A2B8C11 99.43 2.23 -7.63 -1.42 0
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409654 135082436 1 NO2C8H13 AB2C8D13 -59.13 2.6 -9.16 -0.1 0
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409656 135082438 2 O4C7H9 A4B7C9 -310.04 4.98 -9.88 -1.21 -2
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409657 135082439 2 C4H7 A4B7 -27.75 0.11 -10.81 3.74 -1
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409658 135082440 1 C9H17 A9B17 -10.88 0.26 0.0 0.0 0
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409659 135082441 1 H4C5 A4B5 171.1 0.04 -8.67 -1.06 0
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409660 135082442 2 C13H15 A13B15 17.67 0.7 -8.37 -0.14 1
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409662 135082444 1 PdP2O4C30H56 AB2C4D30E56 -250.22 2.49 -6.9 0.63 0
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409663 135082445 2 PC13H24 AB13C24 -90.51 1.02 -8.04 0.46 0
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409666 135082448 2 H13C18 A13B18 197.32 0.13 -8.15 -0.92 0
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409667 135082449 1 PN2C4O4H7 AB2C4D4E7 -161.82 3.67 -10.54 -0.82 1
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409668 135082450 1 PN2C4O4H8 AB2C4D4E8 -160.37 3.65 0.0 0.0 0
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409669 135082451 1 H24C25 A24B25 179.39 1.06 -8.16 -0.69 0
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409670 135082452 1 ON2C13H20 AB2C13D20 37.85 5.32 -9.24 -1.06 0
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409671 135082453 1 ON2C10H14 AB2C10D14 20.75 3.4 -8.26 -0.22 0
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409672 135082454 1 LiO2S2C15H15 AB2C2D15E15 57.87 30.53 -5.48 -2.12 0
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409673 135082456 1 PtP3F6C20H29 AB3C6D20E29 -333.3 12.48 -6.96 -1.2 0
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409674 135082457 1 BPtF6N6H13C14 ABC6D6E13F14 -6.28 4.73 -9.69 -3.21 -1