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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400898 135049414 1 OSSiC20H32 ABCD20E32 -81.75 1.28 -8.55 -0.15 0
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400899 135049415 1 LiPC10H14 ABC10D14 20.6 6.6 -6.94 0.86 0
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400900 135049416 1 LiPC12H16 ABC12D16 62.21 18.99 -4.86 0.38 0
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400901 135049417 1 NSiO2C12H25 ABC2D12E25 -95.1 1.3 -8.68 0.86 0
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400902 135049418 1 OSiC30H30 ABC30D30 34.29 1.38 -9.3 -0.05 0
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400903 135049425 1 OSiC18H22 ABC18D22 -56.79 1.01 -8.46 -0.28 0
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400904 135049431 1 LiSiN4C22H35 ABC4D22E35 125.38 16.14 -5.84 -0.83 -1
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400905 135049432 1 OC5H9 AB5C9 -32.42 3.2 0.0 0.0 0
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400906 135049434 1 ClOSiC9H21 ABCD9E21 -120.68 2.78 -9.26 1.0 0
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400907 135049435 1 OSiC9H20 ABC9D20 -96.7 3.68 -9.43 0.77 0
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400908 135049436 1 OSiC30H36 ABC30D36 -4.49 2.08 -9.16 -0.12 0
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400909 135049437 1 OSiC33H34 ABC33D34 38.1 0.95 -9.02 -0.06 0
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400910 135049438 1 OSiC25H28 ABC25D28 -1.41 2.02 -9.34 -0.14 0
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400911 135049439 1 OSiC31H32 ABC31D32 30.17 1.32 -9.24 -0.12 0
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400912 135049440 1 Si2O4C25H40 A2B4C25D40 -228.03 4.51 -8.64 -0.32 0
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400913 135049442 1 Si3O4C52H60 A3B4C52D60 -169.81 2.27 -9.05 0.06 0
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400914 135049444 1 Si2O3C41H56 A2B3C41D56 -219.68 3.65 -8.95 0.17 0
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400915 135049445 1 Si2N4C25H44 A2B4C25D44 -24.81 2.32 -8.25 0.38 0
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400916 135049446 1 OSiC8H16 ABC8D16 -52.54 1.24 -8.22 0.49 0
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400917 135049447 1 ClOSiC7H13 ABCD7E13 -83.91 5.69 -10.24 -0.56 0
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400918 135049449 1 OSiC14H26 ABC14D26 -88.95 2.38 -8.96 0.54 0
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400919 135049450 1 NSeSiO2C18H23 ABCD2E18F23 3.29 4.34 -8.71 -0.96 0
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400920 135049454 1 CdGeOH17C18 ABCD17E18 58.81 2.37 0.0 0.0 0
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400921 135049455 1 Si2O3C30H50 A2B3C30D50 -282.07 2.79 -8.77 0.41 0
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400922 135049456 1 Si2O3C30H50 A2B3C30D50 -282.89 3.47 -8.77 0.39 0
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400923 135049468 1 CdGeOC20H21 ABCD20E21 56.71 2.2 0.0 0.0 0
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400924 135049469 1 CdGeOC21H23 ABCD21E23 5.04 2.19 0.0 0.0 0
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400925 135049470 1 ON2Si2C14H26 AB2C2D14E26 -99.32 1.09 -7.75 0.6 0
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400926 135049471 1 Si2O3C29H48 A2B3C29D48 -272.2 2.94 -8.75 0.41 0
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400927 135049472 1 Si2O3C24H46 A2B3C24D46 -295.17 2.8 -8.79 0.48 0
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400928 135049474 1 NSi2F3O4C33H44 AB2C3D4E33F44 -415.47 1.86 -9.15 -0.11 -1
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400929 135049475 1 SSeSiO2C19H23 ABCD2E19F23 -49.14 5.44 0.0 0.0 0
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400930 135049476 1 SSeSiO2C19H24 ABCD2E19F24 -33.2 2.48 -8.06 -0.05 0
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400931 135049478 1 OSiC14H30 ABC14D30 -120.17 3.6 -9.12 0.73 0
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400932 135049479 1 SiO4C14H22 AB4C14D22 -182.5 2.83 -9.61 0.73 0
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400933 135049480 1 FeGeO2H16C19 ABC2D16E19 104.16 2.0 -7.92 0.0 0
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400934 135049481 1 CuGeSC20H21 ABCD20E21 167.12 6.23 -6.86 -0.84 0
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400935 135049482 1 CdGeO2H19C20 ABC2D19E20 16.33 4.29 0.0 0.0 0
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400936 135049483 1 LiSeSnH15C18 ABCD15E18 78.35 8.37 -7.49 -0.52 0
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400937 135049485 1 GeNC13H27 ABC13D27 -35.89 3.98 -10.18 1.17 0
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400939 135049510 1 SiO4C24H28 AB4C24D28 -160.93 1.34 -9.03 -0.48 0
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400940 135049521 1 SiO2C15H24 AB2C15D24 -85.38 4.19 -8.79 0.32 0
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400941 135049523 1 SiO2C20H34 AB2C20D34 -119.96 3.33 -8.8 0.33 0
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400942 135049535 1 OSiC37H44 ABC37D44 2.64 2.01 -9.09 0.04 0
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400943 135049548 1 SiO3C20H36 AB3C20D36 -185.42 2.2 -9.1 1.15 0
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400944 135049549 1 SiO2C14H30 AB2C14D30 -198.41 5.18 -9.31 0.86 0
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400945 135049550 1 SSiO3C15H22 ABC3D15E22 -132.44 1.77 -8.02 0.02 0
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400946 135049551 1 GeN4C22H22 AB4C22D22 306.29 6.27 -6.5 -1.34 0
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400947 135049552 1 GeIC6H15 ABC6D15 -33.36 3.02 -9.48 -1.35 0
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400948 135049554 1 SiO2C7H15 AB2C7D15 -83.84 1.59 0.0 0.0 0
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400949 135049561 1 GeS2C22H22 AB2C22D22 69.08 2.38 -8.35 0.1 0
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400950 135049562 1 GeS2C23H24 AB2C23D24 57.53 2.16 -8.46 0.23 0
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400951 135049563 1 GeS2H26C28 AB2C26D28 93.05 2.12 -8.41 -0.2 0
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400952 135049567 1 SiO3H24C26 AB3C24D26 -59.7 2.46 -9.17 -0.03 -1
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400953 135049568 1 NSiC11H24 ABC11D24 -38.23 1.32 0.0 0.0 0
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400954 135049569 1 OSiC18H28 ABC18D28 -65.87 1.83 -9.07 0.5 0
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400955 135049570 1 OC13H22 AB13C22 -72.4 3.29 -9.22 0.87 0
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400956 135049571 1 SiZrC21H30 ABC21D30 105.66 18.23 -5.68 -2.1 0
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400957 135049572 1 GeSi2N4C18H42 AB2C4D18E42 -104.42 6.27 -8.07 -0.84 0
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400958 135049573 1 GeS4Si8C34H78 AB4C8D34E78 -106.58 6.33 -5.56 -3.03 0
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400959 135049574 2 GeSC14H18 ABC14D18 37.59 2.16 -8.09 0.2 0
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400960 135049575 1 Ge2N2C41H54 A2B2C41D54 66.01 2.29 -6.88 -0.59 0
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400961 135049576 1 OGe2C4H14 AB2C4D14 -56.96 1.01 -9.29 1.27 0
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400962 135049577 1 SiO2H28C30 AB2C28D30 -23.72 2.88 -9.05 -0.15 0
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400963 135049578 1 SiO2H26C30 AB2C26D30 17.33 3.35 -9.08 -0.38 0
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400964 135049579 1 Si3O4C50H56 A3B4C50D56 -179.62 0.95 -9.07 -0.09 0
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400965 135049581 1 SiO2H28C30 AB2C28D30 -25.63 3.18 -9.05 -0.02 0
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400966 135049582 1 SSiN2O2C17H22 ABC2D2E17F22 -47.49 6.48 -9.09 -0.45 0
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400967 135049585 1 SiO2C17H18 AB2C17D18 -87.95 4.04 -9.31 -0.15 0
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400968 135049586 1 SiO2H22C25 AB2C22D25 -35.2 1.69 -9.27 -0.11 0
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400969 135049587 1 SiO2C19H24 AB2C19D24 -51.67 3.91 -8.86 0.02 0
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400970 135049601 1 CuLiSiN2C17H20 ABCD2E17F20 161.54 2.21 -6.92 -0.66 0
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400971 135049602 1 BrHMgS ABCD -47.1 1.52 -9.61 -0.6 0
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400972 135049604 1 OSiC18H34 ABC18D34 -104.97 1.42 -9.04 0.95 0
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400973 135049605 1 OSiC20H24 ABC20D24 -4.98 1.68 -9.14 -0.01 0
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400974 135049606 1 OSiH26C28 ABC26D28 42.96 1.69 -9.23 0.01 0
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400975 135049607 1 OSiH30C35 ABC30D35 92.32 1.67 -9.17 -0.11 0
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400976 135049608 1 OSiC20H30 ABC20D30 -43.85 1.61 -9.23 0.37 0
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400977 135049609 1 NC19H35 AB19C35 -16.67 3.88 -9.57 1.34 0
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400978 135049610 1 NC21H29 AB21C29 -6.53 4.04 -8.98 0.46 0
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400979 135049611 1 NO4C10H17 AB4C10D17 -133.39 5.42 -10.92 -0.45 0
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400980 135049612 1 SO2N3C17H27 AB2C3D17E27 -72.5 6.51 -8.4 -0.57 0
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400981 135049613 1 BOSF4C19H29 ABCD4E19F29 -391.61 20.81 -10.19 -1.46 0
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400982 135049614 1 BrNSO2H14C15 ABCD2E14F15 -26.12 6.13 -8.8 -0.64 0
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400983 135049615 2 SO4C6H9 AB4C6D9 -347.24 2.75 -9.35 -0.71 0
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400984 135049616 1 PN2C30H53 AB2C30D53 -11.42 5.26 -7.44 0.83 0
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400985 135049622 1 FeP2O4C28H28 AB2C4D28E28 24.08 1.41 -7.86 -0.06 1
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400986 135049626 1 ON2C5H7 AB2C5D7 26.36 2.75 0.0 0.0 1
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400987 135049628 1 ON2C6H9 AB2C6D9 21.14 3.06 0.0 0.0 0
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400988 135049629 1 NP2C41H67 AB2C41D67 -25.51 4.91 -7.79 -0.25 0
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400989 135049663 1 NO4C17H27 AB4C17D27 -210.56 1.49 -8.6 -0.18 0
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400990 135049664 1 ClNPH23C25 ABCD23E25 64.47 5.87 -8.76 -0.09 0
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400991 135049666 1 O3S3C11H14 A3B3C11D14 -88.81 2.49 -9.05 -1.24 0
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400992 135049668 1 NOC12H21 ABC12D21 -46.3 3.43 -10.47 -0.38 0
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400993 135049671 1 NOPC26H44 ABCD26E44 -22.7 4.42 -7.1 0.48 0
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400995 135049673 1 NOPSi2C15H26 ABCD2E15F26 -253.67 7.15 -8.3 -0.54 0
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400996 135049681 1 BOSF4C22H29 ABCD4E22F29 -375.25 21.73 -10.69 -1.82 0
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400997 135049714 1 BrNOH14C16 ABCD14E16 4.41 5.82 -8.96 -0.98 0
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400998 135049720 1 FeC18H18 AB18C18 254.38 2.63 -7.58 0.68 0
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400999 135049721 1 ON4C6H8 AB4C6D8 52.82 5.83 -9.99 -0.85 0