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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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380898 134971497 1 NO5C18H19 AB5C18D19 4.58 3.64 -9.47 -1.03 -1
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380899 134971498 1 NO4C18H18 AB4C18D18 -5.62 2.7 0.0 0.0 0
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380900 134971499 1 NO4C18H19 AB4C18D19 -24.42 3.84 -9.39 -1.0 1
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380901 134971500 1 O2C18H19 A2B18C19 42.69 1.52 0.0 0.0 0
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380903 134971502 1 SiBr2H18C20 AB2C18D20 51.12 2.61 -8.76 -0.22 1
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380904 134971503 1 OPN3C21H35 ABC3D21E35 -89.39 2.4 0.0 0.0 0
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380905 134971504 1 SiC24H24 AB24C24 47.99 1.11 -8.53 -0.14 0
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380906 134971505 1 N2H4O4C5 A2B4C4D5 -73.53 2.07 -10.21 -1.16 1
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380907 134971506 1 N2O4C5H5 A2B4C5D5 -76.64 1.35 0.0 0.0 0
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380908 134971507 1 SiN2O8C25H36 AB2C8D25E36 -199.16 3.95 -9.09 -2.27 0
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380909 134971508 1 NOC21H23 ABC21D23 42.92 3.63 -8.9 -0.71 0
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380910 134971509 1 SiN2O2C17H30 AB2C2D17E30 -109.54 3.61 -8.95 -0.55 1
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380911 134971510 1 SiN2O2C17H31 AB2C2D17E31 -101.36 5.07 0.0 0.0 0
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380913 134971512 1 O2C15H20 A2B15C20 -81.25 1.52 -9.22 0.35 0
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380915 134971514 1 ClNOPdC8H8 ABCDE8F8 100.14 2.59 -8.09 -1.99 1
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380916 134971515 1 I2S2H5C9 A2B2C5D9 106.54 1.16 0.0 0.0 0
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380917 134971516 1 O3C22H22 A3B22C22 -50.02 1.35 -8.56 -0.04 0
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380918 134971517 1 ClBr2Si2N5O10C53H78 AB2C2D5E10F53G78 -503.82 6.32 -8.36 -0.85 0
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380919 134971518 2 OC6H11 AB6C11 -121.59 2.6 -10.12 0.1 0
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380920 134971519 1 OC20H34 AB20C34 -100.07 2.13 -9.05 1.56 0
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380921 134971520 1 O3C26H42 A3B26C42 -182.45 2.59 -9.89 0.47 0
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380922 134971522 1 SSiO4C20H36 ABC4D20E36 -252.11 4.72 -8.7 -0.68 0
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380923 134971523 2 O4C10H11 A4B10C11 -293.25 3.55 -8.89 -0.42 0
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380924 134971524 1 O13C26H32 A13B26C32 -518.71 2.59 -8.98 -0.75 0
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380925 134971525 1 O13C26H32 A13B26C32 -514.5 5.08 -8.88 -0.72 0
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380926 134971526 1 FeO2C4H8 AB2C4D8 66.53 2.59 -7.19 1.05 0
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380927 134971527 1 PO5H29C31 AB5C29D31 -141.58 3.63 -9.14 0.11 0
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380928 134971528 1 O5C8H14 A5B8C14 -210.87 3.47 -10.04 0.72 0
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380929 134971529 1 OSN2H10C12 ABC2D10E12 53.62 2.68 -8.82 -0.99 1
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380930 134971530 1 O4N6C55H57 A4B6C55D57 79.28 3.48 0.0 0.0 0
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380931 134971531 1 O4N6C47H56 A4B6C47D56 -2.62 13.27 -7.61 -3.19 0
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380932 134971532 2 O3C8H11 A3B8C11 -272.36 2.65 -9.38 0.35 0
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380933 134971533 1 SiO7C19H30 AB7C19D30 -351.48 3.39 -9.04 0.04 0
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380934 134971534 3 OC4H6 AB4C6 -137.47 2.17 -9.73 0.02 0
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380935 134971539 1 NO2H19C20 AB2C19D20 -29.81 4.79 -9.35 -0.6 -2
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380936 134971540 2 NC8H11 AB8C11 119.79 6.14 -7.17 -1.01 0
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380937 134971543 1 C19H30 A19B30 27.71 1.84 -7.87 0.34 0
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380938 134971545 2 OC13H21 AB13C21 -127.8 2.35 -9.82 0.11 0
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380939 134971546 2 OC13H21 AB13C21 -118.25 2.87 -9.18 0.07 0
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380940 134971547 1 NP2O6C22H33 AB2C6D22E33 -357.49 1.05 -9.1 0.1 0
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380941 134971548 1 SO5C22H24 AB5C22D24 -176.56 1.87 -8.79 -0.75 0
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380942 134971549 1 NSF2H13C16 ABC2D13E16 -7.1 5.3 -9.01 -0.86 0
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380943 134971551 1 OSiS2C25H48 ABC2D25E48 -130.96 3.78 -8.56 0.41 0
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380944 134971552 1 O3C18H32 A3B18C32 -141.58 3.19 -9.77 1.66 0
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380945 134971553 1 BO2C20H37 AB2C20D37 -164.84 0.94 -9.22 0.83 0
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380946 134971554 1 NaO3C12H15 AB3C12D15 -166.84 5.42 -9.32 0.28 0
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380947 134971555 1 O5C8H14 A5B8C14 -238.84 3.93 -10.37 0.61 0
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380948 134971556 2 O3C11H20 A3B11C20 -325.61 3.0 -9.88 0.37 0
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380949 134971557 2 O3C11H21 A3B11C21 -336.05 3.6 -9.57 1.4 0
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380950 134971558 1 SiO6C31H62 AB6C31D62 -413.72 4.22 -8.7 1.18 0
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380951 134971560 1 OC7H12 AB7C12 -39.72 2.73 -9.95 0.41 0
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380952 134971562 1 PO2H23C30 AB2C23D30 29.78 5.23 -8.67 -0.13 0
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380953 134971563 1 NO2H19C20 AB2C19D20 -20.26 4.09 -8.66 -0.43 0
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380955 134971566 1 NOH23C25 ABC23D25 27.31 3.32 -8.97 0.01 0
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380956 134971567 1 NO2F3H18C23 AB2C3D18E23 -152.05 4.29 -9.51 -0.45 1
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380957 134971568 1 ClNOC27H27 ABCD27E27 20.08 2.45 0.0 0.0 2
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380958 134971569 1 ON2H20C21 AB2C20D21 70.08 1.32 -7.32 -0.32 1
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380959 134971570 1 ON2H19C21 AB2C19D21 55.73 2.4 0.0 0.0 1
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380960 134971571 1 NO2F3H19C23 AB2C3D19E23 -106.74 2.03 0.0 0.0 0
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380961 134971572 1 S2I3H5C9 A2B3C5D9 103.85 1.53 -9.13 -1.5 0
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380962 134971574 1 NO2C23H31 AB2C23D31 -59.55 2.16 -9.56 -0.4 0
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380963 134971575 1 O7C17H20 A7B17C20 -284.91 3.16 -10.28 -1.26 0
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380964 134971576 1 CuO9C19H24 AB9C19D24 -306.17 1.4 0.0 0.0 0
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380965 134971577 1 O7C17H20 A7B17C20 -280.55 2.62 -10.3 -1.38 0
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380966 134971578 1 SN2O3C26H36 AB2C3D26E36 -95.26 5.5 -8.44 -0.08 0
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380967 134971579 1 SO3C16H20 AB3C16D20 -96.98 3.17 -8.32 -0.06 0
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380968 134971580 1 NOSC19H21 ABCD19E21 32.98 4.73 -8.38 -0.11 0
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380969 134971581 1 SN2O2C28H32 AB2C2D28E32 -8.24 3.55 -8.44 -0.08 0
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380970 134971582 1 NSSiO2C18H33 ABCD2E18F33 -141.26 3.99 -8.43 -0.05 0
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380971 134971583 1 NSO3C18H25 ABC3D18E25 -115.34 4.21 -8.52 -0.19 0
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380972 134971586 1 NaO3C12H15 AB3C12D15 -130.9 21.09 -7.83 -0.58 0
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380973 134971587 1 O3C12H16 A3B12C16 -124.91 8.68 -10.04 -0.59 0
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380974 134971588 1 ClION2H10C15 ABCD2E10F15 53.68 2.76 -8.79 -1.36 0
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380976 134971592 2 SiO6C30H33 AB6C30D33 -469.1 4.3 -8.64 -0.67 0
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380977 134971593 2 SiO6C30H33 AB6C30D33 -475.75 3.22 -8.69 -0.71 0