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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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19433 563638 1 N2O2H12C15 A2B2C12D15 1.0 4.37 -8.97 -0.92 0
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19434 563639 1 NO3H17C18 AB3C17D18 -26.46 4.46 -8.78 -0.46 0
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19435 563642 1 NSO3C19H21 ABC3D19E21 -51.62 5.33 -8.34 -0.42 0
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19436 563645 1 NO9C35H35 AB9C35D35 -184.22 4.32 -9.28 -1.91 0
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19437 563715 1 N3O4H11C12 A3B4C11D12 -14.57 6.35 -10.08 -1.16 0
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19438 563744 1 N2O4H14C17 A2B4C14D17 10.84 3.41 -9.9 -1.79 0
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19439 563745 1 NO2C17H17 AB2C17D17 5.61 1.36 -8.47 -0.1 0
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19440 563884 1 BNO4C16H16 ABC4D16E16 -185.04 3.21 -8.73 -0.2 0
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19441 563973 2 NOC17H17 ABC17D17 8.83 6.13 -8.57 -0.16 0
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19442 563998 1 O3N5C16H19 A3B5C16D19 -70.54 3.8 -8.82 -0.54 0
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19443 564080 1 N3O5C19H19 A3B5C19D19 -77.76 3.98 -9.69 -1.18 0
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19444 564100 1 NO3C27H37 AB3C27D37 -104.23 2.49 -8.72 0.26 0
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19445 564102 1 FO4H21C23 AB4C21D23 -91.37 1.74 -8.56 -0.26 0
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19446 564104 1 N3O3C22H27 A3B3C22D27 -83.67 5.82 -8.56 -0.66 0
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19447 564107 1 N3O5C20H21 A3B5C20D21 -86.52 4.82 -9.74 -1.41 0
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19448 564108 1 N3O6C22H25 A3B6C22D25 -218.91 4.14 -9.65 -0.18 0
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19449 564182 1 H4N4C5 A4B4C5 99.04 2.58 -9.82 -1.35 0
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19450 564189 1 O4N6H14C15 A4B6C14D15 94.83 4.01 -9.78 -2.03 0
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19451 564210 1 ON2H18C20 AB2C18D20 61.94 1.71 -8.36 -0.51 0
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19452 564213 1 SN2O4H12C14 AB2C4D12E14 -94.91 5.73 -8.89 -1.26 0
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19453 564215 1 NO2C9H11 AB2C9D11 -45.49 1.93 -8.11 -0.38 0
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19454 564238 2 C5H7 A5B7 42.21 1.71 -7.79 0.65 0
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19455 564243 1 OC9H10 AB9C10 -4.61 4.21 -9.94 -0.22 0
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19456 564258 3 C3H4 A3B4 30.44 0.75 -9.16 0.65 0
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19457 564260 1 OC10H16 AB10C16 -37.62 2.27 -9.84 0.85 0
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19458 564268 1 NO4H17C19 AB4C17D19 -87.66 5.28 -9.39 -0.63 0
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19459 564363 1 N2O2C17H22 A2B2C17D22 -60.76 4.66 -8.62 0.11 0
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19460 564401 1 O2S2N3C14H15 A2B2C3D14E15 -17.54 1.87 -9.05 -1.0 0
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19461 564405 2 NOC7H10 ABC7D10 -95.36 4.32 -8.69 0.13 0
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19462 564408 1 O3C10H16 A3B10C16 -131.48 3.44 -9.85 0.61 0
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19463 564420 1 NOC11H13 ABC11D13 -13.12 3.27 -8.83 0.09 0
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19464 564422 1 NOC11H13 ABC11D13 -13.72 3.41 -8.86 0.09 0
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19465 564428 1 OC16H19 AB16C19 17.99 1.49 0.0 0.0 -5
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19466 564434 1 PO2C6H15 AB2C6D15 -133.91 1.96 -8.85 1.58 0
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19467 564437 1 SN3O5H9C12 AB3C5D9E12 17.59 5.92 -8.81 -2.13 0
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19468 564468 1 NC21H23 AB21C23 75.06 3.61 -9.12 -0.3 0
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19469 564489 1 ClOSiC6H13 ABCD6E13 -100.24 4.61 -10.16 -0.01 0
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19470 564497 1 SO3C26H38 AB3C26D38 -116.29 4.78 -9.34 -0.42 0
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19471 564529 1 OC12H18 AB12C18 -56.59 3.54 -9.67 0.82 0
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19472 564531 2 C5H8 A5B8 7.48 0.51 -9.93 3.46 0
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19473 564708 1 SN3O5H15C19 AB3C5D15E19 -40.03 3.86 -8.85 -1.88 0
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19474 564777 1 NOC12H15 ABC12D15 -29.04 3.29 -9.73 -0.1 0
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19475 564822 1 O2N3H13C17 A2B3C13D17 10.63 5.05 -8.9 -0.9 0
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19476 564913 4 NOH5C9 ABC5D9 -15.76 1.53 -8.41 -2.72 0
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19477 564946 1 ON2C18H24 AB2C18D24 -19.54 3.08 -8.57 -0.13 0
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19478 564984 1 N4C7H8 A4B7C8 89.16 2.72 -10.49 0.22 0
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19479 565041 1 O2N3C10H11 A2B3C10D11 -45.29 3.19 -9.94 -0.26 0
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19480 565065 6 C2H3 A2B3 26.43 0.59 -9.03 1.42 0
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19481 565093 2 NOC6H8 ABC6D8 -50.34 5.13 -10.65 -0.22 0
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19482 565118 1 NS2O3C18H31 AB2C3D18E31 -188.93 2.47 -8.7 0.17 0
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19483 565236 1 SN4O4H10C14 AB4C4D10E14 36.2 9.12 -9.27 -1.8 0
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19484 565289 1 OC9H14 AB9C14 -53.98 4.15 -9.39 0.74 0
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19485 565385 1 OC9H14 AB9C14 -50.67 3.27 -9.17 0.73 0
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19486 565390 2 O2C7H12 A2B7C12 -209.86 2.58 -8.96 0.75 0
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19487 565392 1 BrOC9H13 ABC9D13 -64.33 3.93 -10.01 -0.21 0
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19488 565447 2 OC15H26 AB15C26 -178.76 2.37 -9.47 2.88 0
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19489 565489 1 O2C15H22 A2B15C22 -93.97 5.05 -9.06 0.06 0
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19490 565491 1 N2O2C7H10 A2B2C7D10 -68.24 5.36 -9.18 0.24 0
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19491 565549 2 OC5H8 AB5C8 -103.24 1.8 -9.36 0.87 0
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19492 565592 1 C39H74 A39B74 -128.75 0.68 -8.88 1.4 0
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19493 565606 1 ON2C10H14 AB2C10D14 -24.61 1.05 -9.89 -0.51 0
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19494 565638 2 C5H9 A5B9 -29.46 0.34 -8.74 1.66 0
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19495 565736 1 NSO3C18H21 ABC3D18E21 -109.21 8.58 -10.3 -0.67 0
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19496 565737 2 C12H17 A12B17 87.28 0.0 -9.85 3.32 0
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19497 565757 1 BC18H33 AB18C33 -67.01 0.28 -9.26 0.66 0
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19498 565762 1 OC15H24 AB15C24 -45.61 3.45 -9.74 0.64 0
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19499 565789 1 IC7H11 AB7C11 7.51 2.45 -9.27 -0.57 0
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19500 565790 1 FSN4H7C9 ABC4D7E9 64.34 5.33 -9.12 -1.27 0
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19501 565978 1 ClSN3C16H18 ABC3D16E18 50.8 3.15 -8.57 -0.7 0
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19502 566078 1 SC5H6 AB5C6 70.03 1.25 -8.69 0.18 0
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19503 566110 1 O2C11H18 A2B11C18 -122.53 3.86 -9.77 2.27 0
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19504 566114 1 OC9H16 AB9C16 -73.91 1.85 -9.47 2.46 0
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19505 566123 1 N2C7H14 A2B7C14 9.25 2.77 -8.48 1.11 0
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19506 566131 1 SO2C19H32 AB2C19D32 -124.2 1.4 -9.01 -0.1 0
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19507 566251 2 NC4H8 AB4C8 7.6 2.63 -8.58 1.0 0
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19508 566347 1 SC16H28 AB16C28 -31.24 0.87 -8.95 0.08 0
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19509 566363 1 ON3C8H15 AB3C8D15 -23.29 3.86 -9.09 -0.05 0
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19510 566486 1 O2N6C13H16 A2B6C13D16 96.17 9.66 -8.9 -1.72 0
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19511 566545 1 NOC6H11 ABC6D11 -42.16 1.54 -9.74 1.09 0
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19512 566597 1 C3N4H6 A3B4C6 53.16 3.19 -9.88 0.25 0
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19513 566598 1 NO2C11H19 AB2C11D19 -115.17 6.87 -9.27 0.56 0
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19514 566648 1 O3C12H20 A3B12C20 -167.01 4.62 -9.87 0.64 0
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19515 566652 1 BrOC8H13 ABC8D13 -58.0 3.68 -10.07 -0.63 0
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19516 566653 2 ON2C10H19 AB2C10D19 -139.26 6.95 -9.08 1.18 0
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19517 566658 1 Cl2N7C19H25 A2B7C19D25 46.31 4.37 -8.76 -0.54 0
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19518 566664 1 NOC9H17 ABC9D17 -70.95 4.44 -9.05 1.49 0
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19519 566665 1 NO2C6H11 AB2C6D11 -101.56 4.09 -10.09 1.01 0
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19520 566666 1 N2O3C10H18 A2B3C10D18 -83.43 8.21 -9.61 -0.2 0
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19521 566667 1 N2O3C10H20 A2B3C10D20 -168.44 7.4 -9.78 0.38 0
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19522 566668 2 O2C11H21 A2B11C21 -261.8 1.58 -10.61 0.8 0
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19523 566669 1 NOF3C8H14 ABC3D8E14 -224.28 4.22 -9.12 1.3 0
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19524 566670 1 SO2C12H24 AB2C12D24 -137.93 3.62 -9.06 0.44 0
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19525 566671 1 NOC27H47 ABC27D47 -124.75 2.42 -8.73 3.06 0
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19526 566672 1 OC14H26 AB14C26 -98.62 3.6 -9.7 0.82 0
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19527 566673 1 BrNOC7H12 ABCD7E12 -59.58 3.56 -9.46 -0.56 0
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19528 566674 1 OCl2C12H18 AB2C12D18 -73.78 4.36 -9.99 -0.39 0
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19529 566871 1 NOC27H47 ABC27D47 -126.3 3.74 -9.01 3.05 0
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19530 566885 1 NOC24H47 ABC24D47 -145.7 4.38 -9.26 1.25 0
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19531 566905 1 ClON2C23H29 ABC2D23E29 -30.79 2.77 -8.63 -0.32 0
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19532 566924 1 ClNO2C14H18 ABC2D14E18 -81.86 2.13 -8.74 -0.78 0