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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408594 135081361 1 OCl6H8C12 AB6C8D12 -0.32 4.11 -9.87 -0.72 0
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408595 135081362 1 BiO2Cl6H15C22 AB2C6D15E22 109.0 9.48 -8.36 -1.86 0
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408596 135081363 1 BiNS2F3O5H35C36 ABC2D3E5F35G36 -155.96 6.11 -8.95 -0.86 0
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408597 135081364 1 BiF2S2O6H15C18 AB2C2D6E15F18 -178.5 12.26 -10.06 -2.06 0
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408598 135081365 1 NPSbC6H6 ABCD6E6 66.76 2.62 0.0 0.0 0
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408599 135081366 1 AuFPC14H15 ABCD14E15 1.52 10.77 -8.62 -0.73 -4
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408601 135081368 1 AuClP2Si2C28H42 ABC2D2E28F42 -102.55 19.17 -5.88 -1.94 0
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408602 135081369 1 ClPSi2C10H28 ABC2D10E28 -214.22 8.52 -8.35 -0.26 0
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408603 135081370 2 AuPSO2C9H12 ABCD2E9F12 4.82 14.83 -5.92 -1.86 -1
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408604 135081371 1 PC9H12 AB9C12 60.47 3.93 0.0 0.0 0
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408605 135081372 1 AuPC14H20 ABC14D20 201.61 3.48 -8.17 -2.04 0
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408606 135081373 1 AuPH22C26 ABC22D26 247.54 12.84 -7.11 -1.46 0
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408607 135081374 1 AuPH22C28 ABC22D28 198.93 2.05 -8.58 -0.76 0
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408608 135081375 1 AuNOPH31C35 ABCDE31F35 137.32 4.92 -7.62 -0.91 0
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408609 135081376 1 NOC17H17 ABC17D17 17.22 3.35 -8.69 -0.79 0
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408613 135081380 1 AuClFePH23C28 ABCDE23F28 260.6 6.43 -7.49 -1.38 0
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408614 135081381 1 AsAuC14H20 ABC14D20 157.88 2.45 -8.81 -0.85 0
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408615 135081382 1 O6C9H16 A6B9C16 -261.48 2.44 -9.57 0.62 0
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408616 135081383 2 O3C5H9 A3B5C9 -271.18 3.22 -9.3 0.68 0
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408617 135081384 1 BSnC16H25 ABC16D25 76.31 2.84 -8.82 0.01 0
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408618 135081385 1 BSi3C21H39 AB3C21D39 -62.65 1.21 -8.53 0.13 0
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408619 135081386 1 BSnSi2C21H39 ABC2D21E39 -10.59 1.1 -8.64 0.17 0
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408620 135081388 1 O5C13H14 A5B13C14 -171.53 3.49 -9.1 -0.09 0
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408621 135081389 1 Cl2O4C27H28 A2B4C27D28 -77.78 3.49 -8.03 0.19 0
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408622 135081390 2 ClC9H15 AB9C15 -40.31 2.96 -9.21 0.62 0
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408623 135081391 1 N5H25C51 A5B25C51 440.54 2.69 -8.72 -2.18 0
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408624 135081392 2 OC5H9 AB5C9 -104.08 2.88 -9.66 1.3 0
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408625 135081393 1 NO9C28H47 AB9C28D47 -418.3 1.07 -8.73 0.96 0
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408627 135081395 1 NO6C10H13 AB6C10D13 -210.78 1.09 -10.47 -1.12 0
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408628 135081396 1 BC15H29 AB15C29 -72.49 0.29 -9.44 0.68 0
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408629 135081397 1 ClNH2S3C4 ABC2D3E4 74.14 4.37 -8.49 -1.57 0
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408630 135081398 1 N2O4H10C11 A2B4C10D11 -67.84 6.61 -9.32 -1.29 1
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408631 135081399 1 N2O4C11H11 A2B4C11D11 -73.1 6.45 0.0 0.0 0
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408632 135081400 1 O3C10H16 A3B10C16 -158.48 5.94 -10.35 0.54 0
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408633 135081401 1 PtSeBr2C5H10 ABC2D5E10 67.25 2.86 -8.98 -2.81 0
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408634 135081402 1 PtSeI2C5H10 ABC2D5E10 114.23 3.34 -8.96 -3.99 0
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408635 135081403 1 PtSBr2C6H12 ABC2D6E12 65.52 1.79 -8.98 -3.09 0
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408636 135081404 1 BO4C17H31 AB4C17D31 -279.67 2.61 -8.92 1.27 0
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408638 135081406 1 BCl2H18C21 AB2C18D21 86.08 5.29 0.0 0.0 0
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408639 135081407 1 BC15H31 AB15C31 -65.9 0.36 -8.95 0.68 1
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408640 135081408 1 KC7H13 AB7C13 5.29 9.05 -5.29 0.34 0
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408641 135081409 1 C7H13 A7B13 2.75 0.42 0.0 0.0 1
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408642 135081410 1 KC8H15 AB8C15 -0.44 9.14 -5.38 0.28 0
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408643 135081411 1 C8H15 A8B15 -0.92 0.19 0.0 0.0 1
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408644 135081412 1 KC5H9 AB5C9 12.2 9.09 -5.28 0.34 1
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408645 135081413 1 KC8H13 AB8C13 9.74 9.03 -5.38 0.32 0
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408646 135081414 1 C8H13 A8B13 10.65 0.77 0.0 0.0 0
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408647 135081415 1 KC13H17 AB13C17 17.34 9.45 -5.99 0.19 0
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408648 135081416 1 FKH6C7 ABC6D7 -34.89 10.34 -5.9 -0.04 1
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408649 135081417 1 NK2O2C13H23 AB2C2D13E23 -144.85 3.28 -5.12 0.71 0
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408650 135081418 1 NO2C13H24 AB2C13D24 -109.29 1.95 0.0 0.0 1
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408651 135081419 1 NSiK2O3C16H31 ABC2D3E16F31 -244.34 14.12 -5.46 0.4 0
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408652 135081420 1 NSiO3C16H32 ABC3D16E32 -204.67 2.82 0.0 0.0 1
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408653 135081421 1 NK2O2C10H17 AB2C2D10E17 -132.11 8.88 -5.36 0.65 0
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408654 135081422 1 NO2C10H18 AB2C10D18 -95.72 2.07 0.0 0.0 0
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408655 135081423 1 ClKH6C7 ABC6D7 -1.5 10.63 -6.06 -0.13 0
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408656 135081424 1 BrKH6C7 ABC6D7 8.37 10.54 -6.13 -0.16 0
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408657 135081425 1 ClKH6C7 ABC6D7 -4.16 10.19 -6.29 -0.17 1
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408658 135081426 1 KSiC9H19 ABC9D19 -38.82 10.05 -5.79 0.16 0
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408659 135081427 1 SiC9H19 AB9C19 -29.82 0.34 0.0 0.0 0
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408660 135081428 1 KF2H3C6 AB2C3D6 -61.48 9.66 -7.2 0.1 1
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408661 135081429 1 KSiC11H23 ABC11D23 7.09 35.41 -4.06 -1.88 0
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408662 135081430 1 SiC11H23 AB11C23 -39.79 0.34 0.0 0.0 1
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408663 135081431 1 KSiC15H31 ABC15D31 -8.8 35.66 -4.13 -1.64 0
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408664 135081432 1 SiC15H31 AB15C31 -59.4 0.37 0.0 0.0 1
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408665 135081433 1 KSiC7H15 ABC7D15 -28.5 10.03 -5.71 0.2 0
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408666 135081434 1 SiC7H15 AB7C15 -20.37 0.42 0.0 0.0 1
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408667 135081435 1 KSiC7H15 ABC7D15 -15.46 9.93 -5.11 0.3 0
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408668 135081436 1 FKSiO2C11H16 ABCD2E11F16 -143.2 9.26 -7.36 0.56 0
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408669 135081437 1 KO2F3H8C9 AB2C3D8E9 -233.99 6.31 -7.89 0.24 0
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408670 135081438 1 KO2F3H8C9 AB2C3D8E9 -225.37 8.88 -6.87 -0.07 1
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408671 135081439 1 KH19C22 AB19C22 84.2 9.21 -5.81 0.13 0
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408672 135081440 1 H19C22 A19B22 108.85 0.02 0.0 0.0 1
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408673 135081441 1 KC9H9 AB9C9 23.37 10.17 -5.94 -0.1 1
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408674 135081442 1 KC6H9 AB6C9 32.31 8.78 -5.44 0.29 1