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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390622 135000045 1 BrNO4C14H14 ABC4D14E14 -107.28 1.02 -9.03 -0.59 0
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390623 135000048 1 SiO2C23H30 AB2C23D30 -101.7 2.93 -8.62 -0.48 0
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390624 135000049 1 NF3O4H12C15 AB3C4D12E15 -250.68 4.56 -10.34 -0.88 0
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390625 135000051 1 NO2C18H27 AB2C18D27 -89.59 3.82 -8.05 0.49 -4
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390627 135000060 1 OSeC10H15 ABC10D15 -24.92 3.87 0.0 0.0 0
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390628 135000061 1 NSO2F6H19C23 ABC2D6E19F23 -339.79 2.08 -10.02 -0.86 0
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390629 135000065 1 N2O2C11H14 A2B2C11D14 -43.23 1.11 -9.22 -0.25 0
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390630 135000067 1 BCl2C5H7 AB2C5D7 -43.12 1.65 -9.53 -0.51 0
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390631 135000072 1 ON2C16H24 AB2C16D24 -42.06 3.38 -8.34 0.44 0
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390632 135000073 1 FeNOC18H29 ABCD18E29 335.54 15.01 -6.35 -2.93 0
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390633 135000078 2 BOC25H30 ABC25D30 -67.2 1.26 -8.97 0.08 0
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390634 135000085 1 NOSC21H25 ABCD21E25 -24.49 1.79 -8.21 0.08 0
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390635 135000088 1 NSO3C17H21 ABC3D17E21 -68.29 4.16 -9.24 -0.57 0
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390636 135000089 1 NSO2C16H23 ABC2D16E23 -46.06 5.17 -9.32 -0.51 0
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390637 135000096 1 O2C9H16 A2B9C16 -104.1 3.6 -9.57 0.61 0
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390638 135000097 3 NOH7C9 ABC7D9 -2.58 5.59 -9.17 -0.84 0
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390639 135000098 1 OH24C27 AB24C27 47.5 2.3 -8.92 -0.61 0
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390640 135000104 1 NOSiC27H41 ABCD27E41 -77.68 1.35 -8.76 0.2 0
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390641 135000113 1 F17O25C116H135 A17B25C116D135 -1772.52 5.91 -9.21 -0.52 0
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390642 135000114 1 SiN3O13C47H61 AB3C13D47E61 -455.93 5.22 -8.83 -0.79 0
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390643 135000121 1 N2Si3C35H46 A2B3C35D46 25.55 1.6 -7.34 -0.26 0
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390644 135000125 1 NOH17C18 ABC17D18 43.05 3.43 -9.16 -0.27 0
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390645 135000126 1 OC17H22 AB17C22 -7.54 1.81 -9.35 0.38 0
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390646 135000138 1 NOSnC31H51 ABCD31E51 -78.78 4.6 -8.62 -0.44 0
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390647 135000139 1 Br2S3N4O4H40C48 A2B3C4D4E40F48 90.78 6.84 -8.41 -1.13 0
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390648 135000142 1 OH20C21 AB20C21 13.55 3.01 -9.08 -0.76 0
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390649 135000143 1 ClNO2C14H20 ABC2D14E20 -34.67 4.85 -9.59 -0.53 0
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390650 135000162 1 NSO2C19H31 ABC2D19E31 -99.42 1.74 -8.36 0.28 0
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390651 135000169 1 BrNSO4C28H28 ABCD4E28F28 -98.94 9.04 -9.18 -1.02 0
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390652 135000183 1 SnC21H43 AB21C43 -51.89 0.31 0.0 0.0 0
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390653 135000193 1 OC16H22 AB16C22 -35.41 2.02 -9.43 0.3 0
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390654 135000194 2 OC10H12 AB10C12 -61.53 1.4 -8.79 -0.42 0
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390655 135000200 1 NS2O4H17C19 AB2C4D17E19 -33.73 2.72 -8.88 -1.12 0
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390656 135000206 1 BClOSiC32H46 ABCDE32F46 -112.14 3.28 -8.9 -0.13 0
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390657 135000208 1 NSO2C18H27 ABC2D18E27 -66.31 7.13 -8.49 -0.24 0
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390658 135000209 2 O2C8H11 A2B8C11 -187.06 2.48 -9.84 -0.52 0
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390659 135000213 1 SN2O2H24C27 AB2C2D24E27 45.1 5.1 -8.75 -0.5 0
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390660 135000214 1 B2O5C22H34 A2B5C22D34 -358.51 5.84 -8.28 0.66 0
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390661 135000218 2 ON2C7H14 AB2C7D14 -60.02 5.57 -9.26 0.33 0
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390662 135000220 1 NSO3C18H21 ABC3D18E21 -108.92 4.29 -9.1 -1.31 0
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390663 135000221 1 BBrO2C18H32 ABC2D18E32 -190.73 2.4 -8.97 0.05 0
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390664 135000224 1 N2O2C19H20 A2B2C19D20 4.04 2.83 -8.07 -0.34 0
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390665 135000245 1 FO2N3H12C16 AB2C3D12E16 -67.8 8.19 -9.0 -1.47 0
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390666 135000246 1 ON2H14C17 AB2C14D17 78.33 0.18 -8.88 -1.06 0
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390667 135000251 1 FOSiN2C30H33 ABCD2E30F33 -49.84 6.56 -8.47 -0.15 0
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390668 135000257 1 PN2O4C10H11 AB2C4D10E11 -127.15 2.73 -9.62 -1.38 0
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390669 135000258 1 NO2C14H21 AB2C14D21 -55.37 2.71 -9.41 0.19 0
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390670 135000265 1 NSH9C14 ABC9D14 131.08 0.59 -8.37 -0.82 0
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390671 135000290 1 ClOSF3N3H5C11 ABCD3E3F5G11 -122.62 6.47 -9.66 -1.85 0
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390672 135000291 1 NO5C23H27 AB5C23D27 -131.02 7.45 -9.48 -0.64 0
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390673 135000300 1 SN2O8C19H24 AB2C8D19E24 -212.0 6.51 -9.54 -1.63 0
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390674 135000310 1 C13H16 A13B16 30.82 0.72 -8.87 0.4 0
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390675 135000317 1 NSO2C12H13 ABC2D12E13 -28.78 1.32 -9.56 -1.24 1
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390676 135000330 1 OSeN2C22H25 ABC2D22E25 9.93 5.75 0.0 0.0 0
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390677 135000339 1 NSeO2H19C23 ABC2D19E23 38.67 1.19 -8.3 -0.87 0
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390678 135000341 1 ISe2N5C24H26 AB2C5D24E26 148.45 9.07 -7.93 -1.16 0
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390679 135000349 1 NC15H29 AB15C29 -56.57 1.41 -8.53 2.91 0
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390680 135000351 1 SO4C12H24 AB4C12D24 -196.68 4.88 -10.32 0.36 0
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390681 135000353 1 NO3C18H21 AB3C18D21 -77.39 3.32 -9.25 -0.34 0
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390682 135000354 1 NO4C14H23 AB4C14D23 -171.33 4.52 -9.5 0.33 0
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390683 135000359 1 LiOSeC9H9 ABCD9E9 -32.72 5.93 -7.85 -0.28 2
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390685 135000370 1 CoOF2P3C22H37 ABC2D3E22F37 -353.99 5.93 0.0 0.0 -1
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390686 135000371 1 CoN5O5C25H34 AB5C5D25E34 4.11 26.7 -10.13 -5.54 3
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390687 135000375 1 CoNF2P3C16H33 ABC2D3E16F33 -218.12 10.65 -8.97 -3.9 3
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390689 135000377 1 SN3O3C19H23 AB3C3D19E23 -78.71 8.85 -8.21 -0.74 0
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390690 135000383 2 BO2C11H17 AB2C11D17 -325.24 5.24 -8.82 0.57 0
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390691 135000384 1 BO4C23H31 AB4C23D31 -224.59 4.04 -9.26 -0.39 0
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390692 135000393 1 OC14H18 AB14C18 -12.4 2.18 -9.23 0.17 0
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390693 135000395 1 NPO7C17H18 ABC7D17E18 -183.02 5.35 -9.06 -1.56 0
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390694 135000396 1 SN2O3C14H18 AB2C3D14E18 17.92 8.92 -8.6 -1.2 0
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390695 135000397 1 NO3C25H25 AB3C25D25 -56.57 3.6 -8.26 -0.4 0
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390696 135000398 1 NO5C19H21 AB5C19D21 -143.96 6.65 -9.26 -0.39 0
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390697 135000399 2 O2H6C7 A2B6C7 -66.11 0.65 -9.5 -0.31 0
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390698 135000405 1 N2C25H36 A2B25C36 -2.81 2.18 -9.05 -0.17 0
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390699 135000406 1 N2C31H48 A2B31C48 -38.26 2.87 -8.96 0.16 0
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390700 135000412 1 N3O4H27C28 A3B4C27D28 -58.07 8.65 -9.62 -0.39 0
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390701 135000413 1 ON4C19H20 AB4C19D20 56.93 4.8 -9.82 -0.56 0
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390702 135000424 1 ClO5C24H27 AB5C24D27 -197.83 4.98 -9.42 -0.73 0
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390703 135000427 1 NO3C15H21 AB3C15D21 -48.82 5.1 -9.71 -0.71 0
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390704 135000434 1 ClNSO3C16H20 ABCD3E16F20 -141.64 1.83 -9.13 -0.2 0
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390705 135000436 1 ClNO3C15H18 ABC3D15E18 -55.46 5.24 -9.65 -0.74 0
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390707 135000481 1 SiSnC25H46 ABC25D46 -52.55 0.75 -8.53 0.61 0
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390708 135000482 1 SiSnC15H26 ABC15D26 -5.31 0.75 -8.19 0.37 0
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390709 135000484 1 SeN2O2H10C16 AB2C2D10E16 22.69 4.1 -8.51 -1.37 0
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390710 135000485 1 NSeBr2H9C15 ABC2D9E15 91.33 2.58 -9.11 -1.06 0
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390711 135000512 2 OC6H8 AB6C8 -65.03 1.62 -9.53 0.4 0
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390712 135000517 1 INO3C14H24 ABC3D14E24 -160.46 3.86 -9.64 -0.78 0
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390713 135000524 1 NO3C18H19 AB3C18D19 -86.16 5.33 -9.7 -0.11 0
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390714 135000525 1 NO3C18H19 AB3C18D19 -84.06 5.08 -9.6 0.04 0
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390715 135000527 1 BNO2C18H24 ABC2D18E24 -125.09 6.35 -9.36 0.26 0
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390716 135000532 1 NO4C21H23 AB4C21D23 -125.95 1.28 -8.27 0.25 0
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390717 135000533 1 NO4C16H21 AB4C16D21 -154.61 5.97 -8.52 0.03 0
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390718 135000539 1 OSiC20H34 ABC20D34 -73.01 1.98 -8.73 0.37 0
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390719 135000542 1 OSiC25H36 ABC25D36 -71.22 1.16 -9.15 0.28 0
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390720 135000548 1 OC13H20 AB13C20 -48.62 4.88 -9.8 0.02 0
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390721 135000549 1 OSiC20H38 ABC20D38 -94.03 3.13 -9.08 0.74 0
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390722 135000551 1 OC12H24 AB12C24 -94.4 3.0 -9.73 0.81 0
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390723 135000552 1 ClNO2C13H18 ABC2D13E18 -28.53 2.59 -9.7 -0.62 0
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390724 135000554 1 ClNO5H16C20 ABC5D16E20 76.11 33.1 -8.53 -3.05 0
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390725 135000567 1 NSO2C21H23 ABC2D21E23 -17.23 5.24 -9.34 -0.4 0