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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218959 85090257 2 FOC6H7 ABC6D7 -190.38 3.16 -10.26 -0.86 0
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218960 85090258 1 ClPdF2N2C13H21 ABC2D2E13F21 -47.05 3.34 -8.15 0.3 0
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218962 85090260 1 NF2O2C13H17 AB2C2D13E17 -177.9 4.87 -9.45 -0.56 0
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218963 85090261 1 OF2C28H46 AB2C28D46 -225.2 4.24 -8.71 0.16 0
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218964 85090262 1 NF2C12H17 AB2C12D17 -94.88 3.97 -8.85 -0.01 0
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218965 85090263 1 PdF2N2C13H22 AB2C2D13E22 26.83 2.72 -8.27 -0.08 0
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218966 85090266 1 NOF2C12H15 ABC2D12E15 -136.67 4.48 -9.62 -0.59 0
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218967 85090267 1 NF2H15C19 AB2C15D19 -25.08 2.9 -8.22 -0.35 0
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218968 85090268 1 NF2O2C14H19 AB2C2D14E19 -168.4 4.33 -9.03 0.05 0
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218969 85090271 1 F2O2C11H12 A2B2C11D12 -172.36 1.9 -9.92 -0.27 0
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218970 85090272 1 ClIPdN2C12H20 ABCD2E12F20 110.71 6.02 -8.01 -1.23 0
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218972 85090275 1 F2C15H22 A2B15C22 -125.22 3.31 -9.62 -0.04 -1
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218973 85090277 1 AgF2N2C28H37 AB2C2D28E37 -246.86 18.54 -8.78 -3.17 0
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218974 85090278 1 OF2H12C14 AB2C12D14 -93.8 3.62 -9.17 -0.23 0
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218975 85090281 1 OSC23H30 ABC23D30 -39.75 3.49 -8.38 0.13 0
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218976 85090282 1 NS2O3H23C24 AB2C3D23E24 -62.76 6.53 -8.96 -0.44 1
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218977 85090283 1 PS2N3C34H37 AB2C3D34E37 15.06 5.27 0.0 0.0 0
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218978 85090286 1 PSeN3C22H30 ABC3D22E30 26.75 4.94 -8.22 0.04 0
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218979 85090287 1 SO3C23H30 AB3C23D30 -113.69 3.17 -8.22 0.13 0
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218980 85090288 1 OSC19H22 ABC19D22 -13.6 2.93 -8.51 -0.05 0
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218981 85090289 1 OSC20H24 ABC20D24 -18.83 2.68 -8.56 -0.05 0
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218982 85090291 1 SO2C18H20 AB2C18D20 -41.53 4.27 -8.17 0.06 0
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218983 85090292 1 OSC17H18 ABC17D18 -1.46 2.76 -8.7 -0.21 0
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218984 85090294 1 NSO4C20H21 ABC4D20E21 -125.58 3.68 -8.1 -1.08 0
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218985 85090299 1 FOSC17H17 ABCD17E17 -49.07 2.7 -8.64 -0.16 0
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218986 85090302 1 NSO3C17H17 ABC3D17E17 -6.74 5.02 -9.22 -1.51 0
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218987 85090303 1 OSC15H24 ABC15D24 -50.68 1.73 -8.55 -0.09 0
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218988 85090304 1 NSO2C20H21 ABC2D20E21 -48.1 4.08 -8.77 -1.34 0
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218989 85090305 1 NSO2H13C16 ABC2D13E16 -30.71 3.63 -8.68 -1.38 0
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218990 85090306 1 OSC17H28 ABC17D28 -59.28 2.98 -8.36 0.08 0
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218991 85090308 1 OSC19H22 ABC19D22 -20.16 2.86 -8.47 0.0 0
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218992 85090309 1 NSO2H11C15 ABC2D11E15 -19.65 3.87 -8.76 -1.38 0
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218993 85090311 1 NSO2H17C18 ABC2D17E18 -37.16 3.43 -8.68 -1.38 0
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218994 85090317 1 PSN3C28H32 ABC3D28E32 -6.52 4.82 -8.45 -0.81 0
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218995 85090318 1 O2N3C26H27 A2B3C26D27 -33.11 8.05 -8.89 -0.78 0
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218996 85090319 1 N3O3H23C24 A3B3C23D24 -50.59 7.69 -8.9 -0.81 0
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218997 85090321 1 O2N3C23H23 A2B3C23D23 -27.55 7.92 -8.9 -0.8 0
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218998 85090322 1 N3O3C25H25 A3B3C25D25 -58.43 8.15 -8.89 -0.79 0
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218999 85090324 1 ClO2N3H20C23 AB2C3D20E23 -19.33 8.66 -9.03 -0.98 0
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219000 85090325 1 ClO2N3H20C23 AB2C3D20E23 -19.42 8.62 -9.03 -0.97 0
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219001 85090326 1 ClN3O3H22C23 AB3C3D22E23 -64.81 9.0 -8.95 -0.87 0
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219002 85090335 1 O2N3H21C22 A2B3C21D22 -17.64 8.05 -8.94 -0.85 0
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219003 85090336 1 N3O3C26H27 A3B3C26D27 -61.45 7.35 -8.86 -0.83 0
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219004 85090347 2 O3C16H28 A3B16C28 -375.35 1.8 -9.68 0.83 0
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219005 85090348 1 Al3O5Cl6H10C13 A3B5C6D10E13 -441.73 8.51 0.0 0.0 0
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219006 85090356 1 FN5O5C28H32 AB5C5D28E32 -203.07 15.46 -8.93 -0.94 0
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219007 85090360 1 NO4C34H51 AB4C34D51 -156.76 5.16 -10.2 -1.82 0
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219008 85090361 1 ISN2F3O4H14C18 ABC2D3E4F14G18 -241.83 7.33 -9.74 -1.61 0
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219009 85090363 1 SO14H18C22 AB14C18D22 -514.97 3.02 -9.2 -1.6 0
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219010 85090364 2 O6C13H17 A6B13C17 -484.3 7.09 -8.63 -0.9 0
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219011 85090366 1 FN4O4H29C31 AB4C4D29E31 -98.17 5.75 -9.54 -0.22 0
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219013 85090368 1 FS3N4O5C22H23 AB3C4D5E22F23 -101.32 7.37 -8.85 -1.91 0
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219014 85090369 1 SO7C29H46 AB7C29D46 -372.48 4.81 -9.97 -0.95 0
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219015 85090370 1 SiO7C29H50 AB7C29D50 -360.44 2.97 -8.77 -0.14 0
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219016 85090371 1 Si2O7C27H46 A2B7C27D46 -356.46 3.16 -8.82 0.41 0
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219017 85090372 1 N3O8H21C29 A3B8C21D29 -193.33 8.78 -8.88 -1.81 0
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219018 85090373 1 F3N7H28C30 A3B7C28D30 17.17 7.92 -9.07 -0.67 0
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219019 85090374 1 NO9C29H33 AB9C29D33 -350.85 4.75 -9.52 -1.49 0
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219020 85090376 1 ClSF2O3N7C22H24 ABC2D3E7F22G24 -108.84 5.99 -9.36 -1.46 1
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219021 85090377 1 S2O5N6C24H25 A2B5C6D24E25 -74.73 3.6 0.0 0.0 0
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219022 85090378 1 O3N8C29H32 A3B8C29D32 -0.65 4.27 -8.33 -0.81 0
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219023 85090379 1 O8C31H40 A8B31C40 -350.56 8.29 -9.58 -0.71 0
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219024 85090381 1 N2O7C30H40 A2B7C30D40 -121.75 6.78 -8.48 -1.12 0
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219025 85090382 1 O7C32H44 A7B32C44 -278.57 4.14 -9.18 0.24 0
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219026 85090383 1 O3H36C38 A3B36C38 -8.68 4.33 -8.71 -0.33 1
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219027 85090384 1 N2O2C36H49 A2B2C36D49 -87.07 4.16 0.0 0.0 0
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219028 85090387 1 INO4C24H48 ABC4D24E48 -244.04 14.68 -7.28 -0.29 1
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219029 85090388 1 NO4C24H48 AB4C24D48 -223.87 4.09 0.0 0.0 0
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219030 85090389 1 NS2F3O5C25H26 AB2C3D5E25F26 -320.38 11.04 -9.84 -1.57 1
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219031 85090390 1 S2O5N7C23H24 A2B5C7D23E24 -79.23 2.63 0.0 0.0 0
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219032 85090391 1 NSF2O5C29H29 ABC2D5E29F29 -258.56 3.75 -9.1 -0.48 0
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219033 85090392 1 N3O5C32H35 A3B5C32D35 -114.43 5.1 -8.78 -0.3 0
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219034 85090393 1 ClNS3O6C23H24 ABC3D6E23F24 -187.29 9.23 -9.48 -0.93 0
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219035 85090394 1 ClNSO6C27H40 ABCD6E27F40 -277.09 4.9 -8.91 -0.8 2
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219036 85090396 1 OCl2N3C19H25 AB2C3D19E25 74.67 12.11 -5.94 -0.41 0