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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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389477 134993183 1 SCl2O3C6H10 AB2C3D6E10 -149.68 5.1 -11.39 -1.76 0
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389478 134993190 1 SiO2C16H24 AB2C16D24 -81.68 1.85 -8.88 0.08 0
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389479 134993191 1 OC13H18 AB13C18 -46.48 2.39 -9.42 0.38 0
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389480 134993192 2 O2C7H9 A2B7C9 -138.9 2.41 -9.94 -0.49 0
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389481 134993213 1 NOC13H25 ABC13D25 -64.82 1.63 -8.18 1.26 0
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389482 134993214 1 OSN3C4H5 ABC3D4E5 76.43 3.77 -8.9 -1.69 0
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389483 134993219 1 TeC13H18 AB13C18 13.82 2.28 -7.94 -0.05 0
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389484 134993220 1 OTeC12H12 ABC12D12 22.62 1.38 -8.11 -0.25 0
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389485 134993221 1 OTeC12H12 ABC12D12 24.52 1.52 -8.14 -0.13 0
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389486 134993223 1 TeC17H32 AB17C32 -36.14 2.43 -7.9 0.05 0
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389487 134993232 1 IOC6H11 ABC6D11 -29.38 3.22 -9.36 -0.64 0
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389488 134993234 2 O2C4H7 A2B4C7 -54.17 0.58 -9.88 -0.72 0
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389489 134993236 1 O2C11H24 A2B11C24 -147.14 4.45 -10.11 2.68 0
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389490 134993247 1 OC10H12 AB10C12 -12.53 1.81 -9.45 0.27 0
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389491 134993258 1 O3C13H14 A3B13C14 -61.2 3.08 -9.13 -0.15 0
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389493 134993297 2 C7H9 A7B9 99.52 0.34 -9.22 1.26 0
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389494 134993298 2 H8C9 A8B9 109.18 0.43 -9.24 0.26 0
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389495 134993302 2 OC7H12 AB7C12 -106.3 1.46 -9.62 0.84 0
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389496 134993303 1 NOC13H21 ABC13D21 -55.39 4.15 -9.1 -0.04 0
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389497 134993304 2 OC7H9 AB7C9 -72.05 4.61 -9.74 -0.23 0
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389498 134993313 1 Si2O3C12H18 A2B3C12D18 -4.81 6.84 -7.37 -1.74 0
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389499 134993320 1 PO2C15H21 AB2C15D21 -107.54 4.08 -8.73 0.31 0
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389500 134993334 1 SiO2C16H32 AB2C16D32 -167.75 1.78 -8.82 0.62 0
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389501 134993335 1 SiC14H24 AB14C24 -14.08 1.21 -8.72 0.21 0
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389503 134993343 1 O3C13H16 A3B13C16 -101.37 3.36 -9.73 0.03 0
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389505 134993349 1 O2F3C13H13 A2B3C13D13 -205.02 6.73 -8.77 -0.67 -2
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389507 134993356 1 LiNC13H24 ABC13D24 -17.9 6.26 -6.43 2.35 0
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389508 134993357 1 NC13H25 AB13C25 -25.21 1.32 -8.39 1.42 0
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389509 134993359 1 NC17H23 AB17C23 38.77 1.18 -8.72 0.42 0
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389510 134993373 1 PS2C13H21 AB2C13D21 -70.59 3.87 -8.78 -0.15 0
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389511 134993384 6 C3H4 A3B4 7.74 0.78 -8.6 0.11 0
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389512 134993399 2 OC5H8 AB5C8 -61.23 2.03 -10.04 0.56 0
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389513 134993421 1 PSO2C12H23 ABC2D12E23 -158.28 4.78 -8.76 1.18 0
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389514 134993431 1 O2C11H18 A2B11C18 -107.9 3.71 -9.13 0.35 0
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389515 134993444 2 C8H15 A8B15 -39.23 0.05 -9.45 1.3 0
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389516 134993448 1 FPN2S2O7C31H32 ABC2D2E7F31G32 -350.81 4.54 -8.8 -0.8 0
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389517 134993450 1 SC16H16 AB16C16 37.66 1.94 -8.49 -0.05 0
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389518 134993452 1 FO2H13C14 AB2C13D14 -103.98 3.2 -9.81 -0.53 0
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389519 134993456 3 TeC2H4 AB2C4 28.08 1.92 -8.06 0.2 0
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389520 134993457 1 OSi2C15H26 AB2C15D26 -88.84 4.12 -8.79 -0.57 0
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389521 134993458 4 C3H5 A3B5 4.88 0.8 -8.79 0.8 0
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389522 134993459 1 SSiO2C8H16 ABC2D8E16 -94.91 4.92 -9.3 0.37 1
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389523 134993461 1 N2O2C11H13 A2B2C11D13 51.31 9.37 0.0 0.0 0
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389524 134993463 1 LiPC12H24 ABC12D24 31.66 13.83 -4.08 0.52 0
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389525 134993465 2 C5H6 A5B6 68.08 1.21 -8.78 0.04 0
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389526 134993473 1 PO2C14H23 AB2C14D23 -144.88 4.0 -8.89 0.41 0
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389527 134993483 2 OC8H9 AB8C9 -56.31 3.02 -8.84 -0.34 0
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389528 134993484 1 C13H14 A13B14 33.45 0.73 -8.7 0.06 0
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389529 134993491 1 O3C13H20 A3B13C20 -130.38 3.81 -9.7 0.75 0
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389530 134993495 6 OC2H3 AB2C3 -263.95 2.05 -10.14 0.4 0
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389531 134993498 1 C11H12 A11B12 67.55 0.6 -9.14 0.49 0
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389532 134993499 1 SC17H18 AB17C18 28.54 1.81 -8.26 0.13 0
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389533 134993502 1 OH16C17 AB16C17 5.19 2.53 -8.94 -0.42 0
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389534 134993513 1 OC14H18 AB14C18 -14.47 4.01 -9.48 0.8 0
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389535 134993515 6 C2H3 A2B3 6.64 0.52 -9.59 1.38 0
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389536 134993521 1 OPS3C12H15 ABC3D12E15 -88.28 2.88 -8.72 -0.64 0
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389537 134993535 1 Br2C11H14 A2B11C14 78.95 2.84 -9.79 -0.56 0
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389538 134993567 1 BrNPC8H21 ABCD8E21 -75.52 15.69 -7.39 0.19 0
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389539 134993569 1 OC15H24 AB15C24 -60.36 4.51 -9.22 0.06 0
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389540 134993573 1 O3C11H16 A3B11C16 -119.08 1.92 -9.46 0.12 0
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389541 134993589 1 O2C15H20 A2B15C20 -31.03 3.17 -9.44 -0.79 0
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389542 134993590 2 C7H12 A7B12 -42.16 0.06 -8.69 1.69 1
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389543 134993601 1 NCl2C5H8 AB2C5D8 42.22 2.86 0.0 0.0 0
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389544 134993604 1 F6C11H16 A6B11C16 -370.13 4.92 -11.54 1.57 0
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389545 134993606 1 Si2O3C11H16 A2B3C11D16 -3.35 4.58 -7.23 -1.64 0
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389546 134993609 1 PS2C11H17 AB2C11D17 -58.29 4.51 -8.79 -0.49 0
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389547 134993613 1 OC15H20 AB15C20 -30.33 3.19 -8.96 0.07 0
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389548 134993639 1 PBr2C13H21 AB2C13D21 -39.41 5.57 -8.9 -0.64 0
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389549 134993640 1 OP2S2C10H24 AB2C2D10E24 -199.03 8.86 -8.8 -0.18 0
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389550 134993642 1 P2S2O3C8H20 A2B2C3D8E20 -283.41 2.09 -9.52 -0.11 0
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389551 134993656 1 C9H16 A9B16 -0.62 0.5 -10.06 3.65 0
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389553 134993678 1 NPO5C11H26 ABC5D11E26 -294.07 14.08 -9.16 -0.37 0
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389554 134993697 2 C5H7 A5B7 54.9 0.73 -9.08 2.23 0
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389555 134993711 1 NC17H29 AB17C29 -13.09 2.89 -8.75 -0.34 0
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389556 134993714 1 NO2C14H19 AB2C14D19 -32.3 5.01 -9.7 -0.85 0
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389557 134993715 1 LiC15H29 AB15C29 -41.09 5.72 -6.55 3.58 0
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389558 134993717 1 OC12H14 AB12C14 79.37 3.75 -10.0 -0.23 0
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389559 134993720 1 NPO5C11H26 ABC5D11E26 -292.73 13.65 -9.16 -0.3 0
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389560 134993722 1 NC16H21 AB16C21 35.06 1.23 -8.06 0.28 0
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389561 134993725 2 H7C8 A7B8 60.28 0.99 -8.3 -0.44 0
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389562 134993727 1 C11H16 A11B16 18.53 1.77 -8.72 0.61 0
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389563 134993729 1 BrSiO2C13H23 ABC2D13E23 -124.07 2.15 -9.44 -0.06 0
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389564 134993734 1 SC11H22 AB11C22 -29.67 1.83 -8.52 0.8 0
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389567 134993759 1 O3C12H16 A3B12C16 -126.39 1.81 -9.35 0.21 0
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389568 134993766 1 PO2C11H25 AB2C11D25 -187.79 3.55 -10.22 1.68 0
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389569 134993777 1 ClO2C11H15 AB2C11D15 -55.49 2.97 -8.78 -0.06 0
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389570 134993783 1 SC10H20 AB10C20 -25.02 1.64 -8.5 0.83 0
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389571 134993786 1 C17H32 A17B32 -60.98 0.64 -9.07 1.57 0
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389572 134993788 2 OC7H8 AB7C8 -3.25 0.22 -10.11 -0.02 0
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389573 134993789 2 O2C7H12 A2B7C12 -191.09 2.25 -10.14 0.41 0
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389574 134993790 1 AlC17H27 AB17C27 -34.44 0.91 -8.7 0.64 0
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389575 134993792 2 OC7H9 AB7C9 -71.43 2.89 -9.83 -0.51 0
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389576 134993798 1 NSiC15H29 ABC15D29 -29.02 1.18 -8.35 0.94 0
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389578 134993812 1 PO3C9H19 AB3C9D19 -227.4 2.51 -10.31 1.21 0
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389579 134993817 1 NOSi2C15H31 ABC2D15E31 -92.83 3.68 -8.75 0.27 0
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389580 134993850 1 IOPC11H24 ABCD11E24 -121.0 10.22 -7.6 1.12 0
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389581 134993853 1 ClNPO2C8H9 ABCD2E8F9 -128.93 5.38 -10.36 -0.8 0
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389582 134993866 1 C15H28 A15B28 -49.08 0.27 -9.86 3.81 0
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389583 134993878 1 SiC17H24 AB17C24 -4.63 0.96 -9.21 0.31 0
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389584 134993886 1 BrPC14H30 ABC14D30 -99.18 14.85 -7.32 1.18 0