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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396945 135029495 1 O2C15H24 A2B15C24 -99.51 1.19 -9.57 0.93 0
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396946 135029496 1 OSiC24H42 ABC24D42 -121.01 1.71 -8.72 0.47 0
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396947 135029497 1 SN2O3H18C27 AB2C3D18E27 8.98 2.53 -8.85 -1.04 0
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396948 135029498 1 NOSH13C16 ABCD13E16 46.64 3.22 -8.85 -0.7 0
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396949 135029499 1 N2O3C19H20 A2B3C19D20 -64.96 5.26 -8.5 -0.31 0
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396950 135029500 1 ON2C18H18 AB2C18D18 7.35 5.83 -8.46 -0.41 0
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396951 135029501 1 FN3O7H16C24 AB3C7D16E24 -114.75 7.48 -9.04 -2.1 0
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396952 135029502 1 OH18C26 AB18C26 54.67 3.69 -9.2 -0.58 0
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396954 135029505 1 NO2C17H17 AB2C17D17 -17.4 2.44 -8.81 -0.02 0
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396955 135029508 1 C13H22 A13B22 -5.56 0.2 -10.22 3.38 0
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396957 135029510 1 N2O4H16C19 A2B4C16D19 -109.22 4.43 -9.59 -1.16 0
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396958 135029511 1 N2O5H14C17 A2B5C14D17 -137.52 4.54 -9.54 -1.53 0
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396959 135029512 2 O2H6C7 A2B6C7 -105.78 4.72 -9.48 -1.19 0
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396960 135029513 1 SN2O2H20C26 AB2C2D20E26 46.73 4.44 -8.68 -0.67 0
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396961 135029514 1 NO4C22H35 AB4C22D35 -178.63 3.0 -8.77 1.92 0
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396964 135029519 1 ClOC14H17 ABC14D17 -49.4 2.13 -10.05 -0.66 0
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396965 135029520 1 ClO2C8H9 AB2C8D9 -35.62 1.41 -10.43 -0.81 1
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396966 135029521 1 PN2O6C38H54 AB2C6D38E54 -304.42 6.33 0.0 0.0 0
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396968 135029523 1 NO5C23H33 AB5C23D33 -257.13 1.33 -8.65 0.07 0
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396969 135029524 1 SSiF3O6C16H21 ABC3D6E16F21 -401.42 3.24 -9.17 -1.51 0
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396970 135029525 1 BKSSiO4F6C11H14 ABCDE4F6G11H14 -676.39 7.1 -8.83 -1.94 -1
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396971 135029526 1 BSSiO4F6C11H14 ABCD4E6F11G14 -546.88 14.31 0.0 0.0 0
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396972 135029527 1 O2C17H20 A2B17C20 -60.16 4.56 -8.37 0.1 0
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396973 135029528 1 O3N5C23H29 A3B5C23D29 -24.35 3.96 -9.27 -0.95 0
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396974 135029529 1 O3N5C23H29 A3B5C23D29 -19.5 10.37 -9.67 -1.02 0
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396975 135029530 1 O4N6C25H34 A4B6C25D34 -35.86 7.5 -9.55 -0.89 0
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396976 135029531 1 N2O3C11H14 A2B3C11D14 3.37 6.99 -9.51 -1.25 0
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396977 135029532 2 ON2H8C9 AB2C8D9 52.76 3.16 -8.4 -1.02 0
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396978 135029533 2 NOH8C9 ABC8D9 -22.87 4.25 -8.24 -0.69 0
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396979 135029534 1 NOSH15C17 ABCD15E17 36.11 3.25 -8.79 -0.61 0
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396980 135029538 1 NOSH15C17 ABCD15E17 36.85 2.71 -8.81 -0.63 0
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396981 135029539 1 NOSH15C17 ABCD15E17 37.34 3.71 -8.84 -0.64 0
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396982 135029540 1 SO2C18H20 AB2C18D20 -56.14 2.29 -8.88 -0.13 0
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396983 135029541 1 SO2C18H20 AB2C18D20 -55.25 1.17 -8.9 -0.15 0
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396984 135029542 1 FSO2C17H17 ABC2D17E17 -94.22 2.45 -8.96 -0.32 0
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396985 135029543 1 ClSO2C17H17 ABC2D17E17 -56.66 2.68 -8.98 -0.41 0
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396986 135029544 1 ClSO2C17H17 ABC2D17E17 -57.07 2.21 -8.98 -0.38 0
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396987 135029545 1 SO3C18H20 AB3C18D20 -86.45 1.35 -8.71 -0.12 0
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396988 135029549 1 SO4C20H22 AB4C20D22 -140.31 3.89 -9.03 -0.74 0
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396989 135029552 1 NSO2H19C20 ABC2D19E20 -15.56 3.69 -8.78 -0.86 0
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396990 135029553 1 SO2H20C21 AB2C20D21 -31.12 0.61 -8.88 -0.56 0
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396991 135029556 1 O3N5C15H19 A3B5C15D19 -16.04 7.01 -9.22 -0.93 0
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396992 135029557 1 ON5C14H17 AB5C14D17 80.58 7.91 -9.02 -0.76 0
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396993 135029558 1 NOC15H17 ABC15D17 -14.87 3.38 -9.34 0.19 0
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396994 135029561 1 F3N5O7H24C33 A3B5C7D24E33 -137.34 8.42 -9.58 -2.52 0
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396995 135029563 1 OF3N3H18C19 AB3C3D18E19 -119.11 4.0 -8.93 -0.55 0
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396996 135029564 1 NOC14H23 ABC14D23 -33.04 5.58 -9.82 -0.12 0
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396997 135029566 1 N3O4C17H23 A3B4C17D23 -91.3 6.97 -8.87 -0.09 0
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396998 135029568 1 N2O6C33H38 A2B6C33D38 -143.47 4.81 -9.43 -0.56 0
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396999 135029570 1 NSO2C10H17 ABC2D10E17 -111.57 4.64 -8.88 0.15 0