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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5587 13363 1 NCl2C6H15 AB2C6D15 -69.66 5.43 -9.93 0.47 0
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5588 13365 1 ON2C9H20 AB2C9D20 -88.7 3.36 -9.54 1.41 0
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5589 13366 2 ClNOSC5H9 ABCDE5F9 -124.11 1.48 -9.23 -0.53 0
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5590 13367 1 SC3H6 AB3C6 10.8 1.48 -9.04 0.21 0
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5591 13369 1 ClNC2H6 ABC2D6 -15.7 2.41 -9.87 0.78 0
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5592 13370 1 NPO3C8H20 ABC3D8E20 -229.4 1.93 -10.44 0.97 0
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5593 13371 1 CNaSH3O4 ABCD3E4 -205.94 7.86 -9.93 0.31 0
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5594 13374 2 NNaS2C4H7 ABC2D4E7 -46.56 1.46 -7.95 0.25 0
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5595 13375 2 NS2C4H8 AB2C4D8 24.75 2.04 -9.32 -0.53 0
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5596 13376 1 NOC5H11 ABC5D11 -57.91 3.81 -9.88 0.98 0
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5597 13377 1 FNCl2C4H10 ABC2D4E10 -107.45 4.84 -10.4 0.33 0
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5598 13379 2 C5H11 A5B11 -54.93 0.1 -10.76 4.12 0
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5599 13380 1 OPC14H31 ABC14D31 -148.74 5.07 -9.93 2.62 0
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5600 13381 10 CH2 AB2 -25.63 0.53 -9.95 1.36 0
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5601 13382 1 SC10H22 AB10C22 -46.45 1.89 -8.41 0.94 0
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5602 13383 1 BrSH3C4 ABC3D4 33.08 1.18 -9.24 -0.53 0
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5603 13384 1 SN2C3H4 AB2C3D4 34.82 2.84 -8.86 -0.29 0
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5604 13386 1 NC5H9 AB5C9 43.96 1.86 -9.33 0.92 0
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5605 13387 1 NOC5H9 ABC5D9 -51.12 4.38 -9.31 1.23 0
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5606 13389 1 NOH5C6 ABC5D6 8.96 2.08 -10.39 -1.15 0
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5607 13390 1 N2Cl3H3C4 A2B3C3D4 21.17 5.19 -9.2 -0.24 0
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5608 13392 1 ON3C5H7 AB3C5D7 22.99 3.18 -9.69 -0.36 0
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5609 13393 1 NaSO2H5C6 ABC2D5E6 -80.7 5.7 -7.63 0.36 0
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5610 13394 1 NOH5C7 ABC5D7 10.82 2.69 -9.65 -0.85 0
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5611 13395 1 ON2C6H6 AB2C6D6 36.76 2.29 -9.69 -0.76 0
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5612 13396 1 N2H6C7 A2B6C7 51.06 6.18 -8.94 -0.38 0
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5613 13397 1 ClOC7H7 ABC7D7 -34.52 1.55 -9.56 -0.3 0
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5614 13398 1 OC9H16 AB9C16 -78.08 3.71 -9.81 0.88 0
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5615 13400 2 OC4H6 AB4C6 -99.78 3.74 -10.02 0.29 0
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5616 13401 1 NO3H5C6 AB3C5D6 -85.58 8.49 -10.29 -1.32 0
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5617 13402 2 C5H6 A5B6 2.42 0.48 -8.72 0.59 0
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5618 13403 2 C5H7 A5B7 -8.05 0.55 -8.77 0.64 0
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5619 13404 1 OCl2H4C7 AB2C4D7 -19.91 3.32 -10.0 -1.26 0
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5620 13405 1 ClOH7C8 ABC7D8 -32.72 5.56 -10.15 -1.07 0
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5621 13406 1 OC9H14 AB9C14 -53.98 4.43 -9.92 0.52 0
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5622 13407 1 SC9H12 AB9C12 11.22 1.83 -8.57 -0.1 0
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5623 13408 1 NC10H11 AB10C11 30.49 3.41 -8.17 0.31 0
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5624 13409 1 OC10H14 AB10C14 -23.95 3.58 -9.64 0.64 0
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5625 13410 1 ClO2H7C8 AB2C7D8 -73.74 3.35 -9.29 -0.36 0
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5626 13411 2 Cl2H3C4 A2B3C4 -25.41 0.19 -9.48 -0.9 0
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5627 13412 1 H3Cl5C7 A3B5C7 -17.98 1.9 -9.66 -1.17 0
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5628 13413 1 KO4H5C8 AB4C5D8 -186.32 7.62 -9.49 0.13 0
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5629 13414 1 NC11H11 AB11C11 29.97 2.02 -8.9 -0.5 0
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5630 13415 6 C2H3 A2B3 -16.06 0.5 -8.81 0.63 0
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5631 13416 1 OC11H16 AB11C16 -48.06 2.74 -9.39 0.17 0
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5632 13417 1 ClNS2C8H8 ABC2D8E8 37.86 2.95 -9.22 -0.67 0
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5633 13418 4 CClN ABC 70.82 1.44 -11.24 -1.78 0
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5634 13419 3 NOC2H3 ABC2D3 -68.98 0.04 -10.58 -0.33 0
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5635 13420 1 OC11H20 AB11C20 -79.89 3.11 -9.84 0.86 0
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5636 13421 1 ClNC12H24 ABC12D24 -74.64 6.2 -9.47 1.75 0
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5637 13423 1 N2O2C9H14 A2B2C9D14 -102.12 4.1 -9.96 0.06 0
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5638 13425 1 BrNO3C9H20 ABC3D9E20 -137.84 14.99 -7.69 0.12 0
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5639 13426 1 NO3C9H20 AB3C9D20 -107.28 2.0 0.0 0.0 1
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5640 13427 1 ClN2C11H15 AB2C11D15 -16.3 6.39 -8.79 -0.33 0
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5641 13428 1 HNO2Cl4C6 ABC2D4E6 -0.97 3.2 -10.21 -2.13 0
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5642 13429 1 BrClNC11H13 ABCD11E13 41.04 3.06 -9.76 -0.4 0
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5643 13430 1 BrNC11H12 ABC11D12 80.44 1.23 -9.13 -0.08 0
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5644 13431 1 FO2C11H15 AB2C11D15 -168.8 5.61 -10.65 0.51 0
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5645 13432 1 NO2H9C11 AB2C9D11 27.19 4.63 -9.46 -1.14 0
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5646 13433 2 NOH4C5 ABC4D5 39.07 6.63 -9.89 -1.36 0
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5647 13434 2 H2Cl3C4 A2B3C4 -22.48 2.45 -10.58 -1.29 0
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5648 13435 1 ClN4H5C9 AB4C5D9 133.27 3.96 -10.03 -1.76 0
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5649 13436 2 SH5C6 AB5C6 50.49 2.73 -8.86 -1.27 0
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5650 13437 1 SF2O3C9H10 AB2C3D9E10 -197.91 3.81 -10.46 -0.87 0
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5651 13438 3 H4C5 A4B5 45.55 0.85 -8.58 -0.43 0
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5652 13439 1 NSH9C13 ABC9D13 73.53 0.86 -9.05 -1.04 0
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5653 13440 3 NOC3H5 ABC3D5 -92.56 0.19 -10.38 -0.1 0
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5654 13441 1 SN2O2C10H14 AB2C2D10E14 -46.03 4.87 -8.63 0.15 0
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5655 13442 1 ClSN2O2C10H15 ABC2D2E10F15 -82.66 5.63 -9.21 -0.26 0
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5656 13443 1 O2N3C11H11 A2B3C11D11 35.66 8.48 -8.92 -1.19 0
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5657 13445 1 ClNOC14H14 ABCD14E14 -21.96 5.33 -9.9 -1.04 0
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5658 13446 1 NOH13C14 ABC13D14 17.81 3.44 -9.44 -0.78 0
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5659 13448 1 BrNOH10C13 ABCD10E13 28.95 4.72 -8.98 -0.75 0
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5660 13450 1 SN5C10H19 AB5C10D19 13.74 3.49 -8.69 0.14 0
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5661 13452 2 H7C8 A7B8 72.84 0.01 -8.71 -0.51 0
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5662 13453 1 O3H10C13 A3B10C13 -20.5 2.54 -9.26 -1.2 0
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5663 13454 1 NSO5C10H15 ABC5D10E15 -158.22 18.44 -8.81 -1.18 0
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5664 13455 1 Cl4H4O4C9 A4B4C4D9 -162.1 4.88 -10.04 -2.11 0
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5665 13456 1 ClNO3C13H20 ABC3D13E20 -96.52 13.15 -8.17 -0.99 0
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5666 13457 1 NO3C13H19 AB3C13D19 -117.1 2.68 -9.1 -0.11 0
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5667 13458 1 FSN2O3C11H15 ABC2D3E11F15 -168.32 5.77 -10.16 -0.77 0
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5668 13459 1 N2O3C13H20 A2B3C13D20 -160.86 3.06 -10.56 -0.56 0
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5669 13460 1 N2O3C13H18 A2B3C13D18 -134.01 2.06 -10.57 -0.63 0
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5670 13461 1 O3H14C15 A3B14C15 -80.48 2.92 -9.78 -0.26 0
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5671 13462 1 NO2H9C16 AB2C9D16 72.0 6.2 -9.36 -1.91 0
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5672 13467 2 N2C6H13 A2B6C13 -17.14 2.54 -8.2 1.17 0
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5673 13474 1 ClNSC19H24 ABCD19E24 9.99 7.75 -8.02 0.21 0
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5674 13475 1 NSC19H23 ABC19D23 54.03 1.85 -8.52 -0.07 0
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5675 13476 1 N2H18C19 A2B18C19 87.08 5.27 -8.18 -0.52 0
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5677 13481 1 SN4O4C14H22 AB4C4D14E22 -143.43 3.96 -9.51 -0.61 0
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5678 13482 1 NCl2O2C20H25 AB2C2D20E25 -74.61 6.38 -9.58 -0.37 0
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5679 13483 1 ClNO2C20H24 ABC2D20E24 -53.74 4.13 -8.86 -0.36 0
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5680 13484 1 ClNS2C21H30 ABC2D21E30 0.9 6.19 -8.63 -0.49 0
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5681 13485 1 PN2O8H13C14 AB2C8D13E14 -199.26 5.92 -10.48 -1.69 0
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5682 13486 1 IN2S2C21H21 AB2C2D21E21 114.37 10.64 -6.52 -1.82 0
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5683 13487 1 N2S2C21H21 A2B2C21D21 76.34 2.18 0.0 0.0 1
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5684 13488 1 N2O8C19H24 A2B8C19D24 -295.91 11.77 -9.91 -1.25 0
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5685 13489 1 ON2C13H16 AB2C13D16 38.74 2.13 -8.83 -0.71 0
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5686 13490 1 SN2O2C23H32 AB2C2D23E32 -55.57 2.92 -8.32 -0.24 0
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5687 13491 1 ClNO4C24H32 ABC4D24E32 -166.43 4.47 -8.39 -0.55 0