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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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58981 24770105 2 N2O3H15C16 A2B3C15D16 -90.52 2.29 -8.37 -1.93 0
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58982 24770110 1 O2N3C17H19 A2B3C17D19 -28.0 5.96 -9.44 -0.18 -10
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58983 24770112 2 VN2O4C12H17 AB2C4D12E17 -306.42 6.7 -6.89 -0.92 0
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58984 24770123 2 SO2C20H20 AB2C20D20 -37.65 5.73 -8.25 -0.04 0
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58985 24770148 1 SF2N3O5C28H33 AB2C3D5E28F33 -251.89 7.64 -9.46 -0.92 0
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58986 24770152 1 O2C15H22 A2B15C22 -71.76 3.81 -8.42 0.37 0
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58987 24770159 2 OC9H14 AB9C14 -85.72 3.22 -8.13 0.23 0
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58988 24770171 1 P2N5O9C14H23 A2B5C9D14E23 -413.14 3.03 -8.99 -0.63 0
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58989 24770177 1 SN2F3O3C10H17 AB2C3D3E10F17 -275.24 13.53 -10.52 -0.64 1
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58990 24770178 1 N2C9H17 A2B9C17 18.23 0.61 0.0 0.0 0
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58992 24770180 1 N2O3C9H9 A2B3C9D9 -1.54 6.22 0.0 0.0 0
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58993 24770181 1 O5C11H12 A5B11C12 -167.38 5.05 -9.42 -1.0 0
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58994 24770183 1 O8H14C17 A8B14C17 -276.42 6.9 -9.38 -1.02 0
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58995 24770184 1 O3C9H10 A3B9C10 -118.97 4.24 -9.8 -0.67 0
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58996 24770186 1 SSiN3O8C46H57 ABC3D8E46F57 -230.08 3.59 -8.99 -0.03 0
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58997 24770187 1 NO5C17H21 AB5C17D21 -155.17 3.42 -8.54 0.07 0
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58998 24770188 1 N2O4C15H16 A2B4C15D16 -93.37 2.15 -9.69 -0.09 0
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58999 24770197 2 OH9C10 AB9C10 -10.6 1.76 -9.03 0.05 0
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59000 24770202 2 N2O2C8H11 A2B2C8D11 -104.96 7.76 -9.52 -1.08 0
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59001 24770203 1 BrSN3O3C15H18 ABC3D3E15F18 -68.65 4.62 -9.52 -1.2 0
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59002 24770206 1 SO3N4C17H24 AB3C4D17E24 -64.4 5.22 -8.62 -0.94 0
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59003 24770209 1 SF2N3O4C33H37 AB2C3D4E33F37 -169.28 6.04 -8.74 -0.99 0
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59004 24770212 1 SF2N3O4C32H41 AB2C3D4E32F41 -214.0 6.15 -8.83 -0.79 0
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59005 24770221 2 OC6H8 AB6C8 -54.65 2.01 -8.79 0.42 0
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59006 24770222 2 OC7H10 AB7C10 -63.94 2.01 -8.79 0.43 0
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59007 24770237 1 O7H16C21 A7B16C21 -197.49 8.68 -8.63 -1.23 0
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59008 24770260 1 NO4C6H13 AB4C6D13 -196.76 3.09 -10.18 0.36 0
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59009 24770263 1 O7H34C37 A7B34C37 -153.4 4.12 -8.36 -0.91 0
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59010 24770270 1 SN3O4C18H27 AB3C4D18E27 -128.51 10.05 -9.19 -0.96 0
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59011 24770283 2 OC9H14 AB9C14 -86.0 1.75 -8.72 0.5 0
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59012 24770292 1 N2O9C24H26 A2B9C24D26 -169.5 4.13 -8.64 -0.33 0
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59013 24770304 1 ON6C26H28 AB6C26D28 63.06 1.69 -8.42 -0.43 0
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59014 24770316 1 BrOC12H13 ABC12D13 -4.24 3.13 -9.33 -0.48 0
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59015 24770318 1 OSeC14H18 ABC14D18 -26.85 1.48 -8.37 -0.2 0
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59016 24770319 1 O6C17H20 A6B17C20 -211.22 6.71 -8.46 -0.75 0
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59017 24770320 3 BOSC5H5 ABCD5E5 -242.31 3.36 -8.66 -0.47 0
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59018 24770329 1 O7H32C37 A7B32C37 -143.8 5.82 -8.33 -0.83 0
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59019 24770333 1 SF3N3O4C17H22 AB3C3D4E17F22 -276.81 11.24 -9.47 -1.43 0
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59020 24770335 1 SN4O4C16H22 AB4C4D16E22 -91.71 4.74 -9.55 -1.09 0
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59021 24770338 1 N4O4C17H24 A4B4C17D24 -109.71 6.72 -9.36 -1.02 0
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59022 24770340 1 ClSF2N2O5C26H29 ABC2D2E5F26G29 -259.07 5.96 -9.53 -1.12 0
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59023 24770342 1 ClSF2N3O5C27H30 ABC2D3E5F27G30 -259.93 7.09 -9.48 -1.37 0
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59024 24770345 1 SF3N3O5C27H30 AB3C3D5E27F30 -290.86 4.55 -9.36 -1.25 0
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59025 24770346 1 SF3N3O6C30H30 AB3C3D6E30F30 -283.91 8.59 -9.07 -1.27 0
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59026 24770351 1 O2C13H18 A2B13C18 -69.92 3.29 -8.58 0.22 0
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59027 24770352 2 OC7H10 AB7C10 -75.11 2.41 -8.6 0.3 0
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59028 24770361 2 NO3C11H12 AB3C11D12 -187.67 3.43 -8.75 -0.12 0
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59029 24770373 1 ClSN2O2C32H61 ABC2D2E32F61 -127.41 10.39 -7.69 0.26 0
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59030 24770391 1 N2O7C16H18 A2B7C16D18 -259.41 2.52 -9.22 -0.73 0
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59031 24770396 1 BrO4H7C8 AB4C7D8 -139.58 5.93 -10.59 -0.55 0
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59033 24770427 1 O2C13H18 A2B13C18 -56.54 3.01 -8.23 0.34 0
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59034 24770444 1 P2N5O9C14H23 A2B5C9D14E23 -413.03 3.22 -8.79 -0.44 0
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59036 24770477 1 O10H20C21 A10B20C21 -370.16 1.73 -9.73 -2.07 0
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59037 24770534 1 SO3N4C23H46 AB3C4D23E46 -173.17 2.08 -8.78 0.17 0
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59038 24770537 1 ON4H34C41 AB4C34D41 192.61 3.87 -8.24 -1.5 0
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59039 24770538 1 NO2C15H21 AB2C15D21 -91.88 3.45 -8.64 -0.01 0
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59040 24770541 1 NO2C14H15 AB2C14D15 12.77 3.94 -8.48 -0.32 0
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59041 24770547 1 NO5C10H17 AB5C10D17 -186.64 4.8 -9.69 0.96 0
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59042 24770550 1 O3N6C11H16 A3B6C11D16 -66.6 2.9 -9.33 -0.79 0
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59043 24770558 1 ClSF2N4O5C30H37 ABC2D4E5F30G37 -261.13 5.44 -9.42 -0.93 0
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59044 24770560 1 NO5H29C32 AB5C29D32 -76.26 2.27 -8.78 -0.35 0
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59045 24770563 1 N2O7C17H20 A2B7C17D20 -230.49 4.3 -9.93 -0.64 0
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59046 24770575 2 OC8H12 AB8C12 -78.03 4.07 -8.39 0.4 0
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59047 24770578 1 ClO3C8H9 AB3C8D9 -116.41 3.3 -8.56 -0.46 0
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59048 24770580 1 O5C23H32 A5B23C32 -234.53 4.47 -8.96 -0.24 0
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59049 24770581 1 O6C19H24 A6B19C24 -265.16 10.78 -9.52 -0.8 0
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59050 24770586 1 BrN2O3H13C17 AB2C3D13E17 -39.73 2.5 -9.66 -1.41 0
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59051 24770589 1 SF3N4O4C38H47 AB3C4D4E38F47 -161.34 75.85 -7.71 -2.44 0
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59052 24770591 1 BrO4N5C26H28 AB4C5D26E28 -73.82 8.54 -8.5 -1.17 0
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59053 24770592 1 NOC21H25 ABC21D25 0.63 2.33 -8.65 0.12 0
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59054 24770600 1 N2O2C13H16 A2B2C13D16 -56.33 1.81 -8.78 -0.86 0
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59055 24770648 2 OC8H12 AB8C12 -78.88 1.85 -8.46 0.44 0
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59056 24770655 1 O2C13H18 A2B13C18 -60.91 1.8 -8.75 0.47 0
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59057 24770658 4 OC8H13 AB8C13 -243.13 4.95 -9.1 0.48 0
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59058 24770668 1 PN5O6C28H52 AB5C6D28E52 -324.7 2.9 -9.12 -0.56 0