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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214571 85083212 1 INO8C21H30 ABC8D21E30 -348.14 2.98 -8.91 -0.9 0
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214572 85083213 1 IN3O7C20H30 AB3C7D20E30 -242.41 8.51 -9.33 -1.55 0
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214573 85083215 1 NO4F5C29H30 AB4C5D29E30 -357.48 6.37 -9.35 -0.69 0
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214574 85083217 1 NO9C30H33 AB9C30D33 -292.65 2.41 -8.69 -0.23 0
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214575 85083218 1 NO6C33H45 AB6C33D45 -243.12 4.04 -8.6 -0.47 0
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214576 85083220 1 NSSiO5C30H37 ABCD5E30F37 -167.77 4.8 -8.59 -0.28 0
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214577 85083222 1 NCl2O12C21H23 AB2C12D21E23 -445.01 9.33 -10.19 -1.43 0
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214578 85083223 2 NF2O2H12C15 AB2C2D12E15 -194.38 6.18 -8.64 -1.2 0
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214579 85083225 2 SN3O3H10C12 AB3C3D10E12 -48.37 21.56 -7.89 -1.25 0
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214580 85083228 3 OH12C13 AB12C13 4.57 4.95 -9.14 -0.11 0
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214581 85083229 2 NSO4C12H22 ABC4D12E22 -456.34 2.1 -9.19 -1.23 0
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214582 85083230 1 SiN4O4C30H44 AB4C4D30E44 -170.13 3.76 -8.99 -0.53 0
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214583 85083231 1 SiO3C35H56 AB3C35D56 -198.09 1.29 -9.08 0.02 0
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214584 85083232 1 FN5O6C28H32 AB5C6D28E32 -256.09 2.07 -8.99 -0.63 0
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214585 85083234 1 SO5N7C26H31 AB5C7D26E31 -117.56 9.86 -8.87 -0.79 0
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214586 85083235 1 N3O5C33H35 A3B5C33D35 -123.73 8.69 -9.17 -1.49 0
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214587 85083236 1 NO5C35H39 AB5C35D39 -131.67 3.97 -9.28 -0.07 0
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214588 85083238 1 BrOF3N5H23C26 ABC3D5E23F26 -14.24 8.28 -8.4 -0.89 0
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214589 85083239 2 O7H9C13 A7B9C13 -459.71 3.88 -9.27 -2.29 0
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214590 85083243 2 N3O3C14H19 A3B3C14D19 -255.63 5.9 -9.21 -0.25 0
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214591 85083244 1 OSN8C30H38 ABC8D30E38 68.63 4.02 -8.43 -0.41 0
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214592 85083245 1 SiO9C28H46 AB9C28D46 -478.75 5.05 -9.0 0.22 0
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214593 85083250 1 N3O9H21C29 A3B9C21D29 -180.08 8.04 -9.49 -2.43 0
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214594 85083251 1 SN3O12C22H25 AB3C12D22E25 -377.6 3.93 -10.17 -1.31 0
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214595 85083252 1 FS2N5O5H22C25 AB2C5D5E22F25 -155.04 10.46 -8.84 -1.44 0
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214596 85083253 1 SN3O6C29H37 AB3C6D29E37 -250.39 6.01 -8.81 0.01 0
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214597 85083254 1 NSiF3O3C31H36 ABC3D3E31F36 -260.94 3.07 -9.14 -0.3 0
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214598 85083255 1 S2N6O9C20H24 A2B6C9D20E24 -265.02 7.52 -9.18 -0.85 0
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214599 85083256 1 O3N6H32C33 A3B6C32D33 103.54 13.34 -8.86 -1.03 0
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214600 85083257 1 SF2O5N6C24H34 AB2C5D6E24F34 -249.62 6.79 -8.81 -0.67 0
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214601 85083259 1 SN2O5C31H44 AB2C5D31E44 -141.19 4.67 -9.15 -0.18 0
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214602 85083261 1 PF3N3O8C23H23 AB3C3D8E23F23 -476.81 5.06 -9.86 -1.01 0
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214603 85083263 1 BrPC34H38 ABC34D38 40.99 13.15 -7.52 -0.93 0
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214604 85083265 1 FS2N5O5H24C25 AB2C5D5E24F25 -185.89 10.62 -8.83 -1.42 0
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214605 85083266 1 S2N5O6C25H27 A2B5C6D25E27 -168.23 6.96 -9.15 -1.32 0
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214606 85083269 1 O11H22C30 A11B22C30 -331.57 5.19 -8.77 -1.25 0
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214607 85083270 1 N6O9C25H30 A6B9C25D30 -175.68 5.07 -9.27 -1.16 0
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214608 85083271 1 PO9C29H35 AB9C29D35 -361.51 2.32 -9.35 0.0 0
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214609 85083272 1 O9H30C32 A9B30C32 -257.44 5.9 -8.98 -0.41 1
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214610 85083274 1 N4C27H29 A4B27C29 140.34 3.05 0.0 0.0 0
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214611 85083275 1 O8C33H34 A8B33C34 -207.3 5.6 -8.31 -1.01 0
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214612 85083276 1 N4O8C27H50 A4B8C27D50 -393.05 7.05 -8.76 0.3 0
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214613 85083278 1 N4O4C33H42 A4B4C33D42 -144.52 5.52 -8.41 -1.07 0
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214614 85083280 1 SN2O6C30H42 AB2C6D30E42 -205.73 3.98 -8.31 -1.32 0
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214615 85083281 1 SSiO5C31H46 ABC5D31E46 -237.63 8.23 -8.9 -0.15 0
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214616 85083282 1 MgO2N4C34H38 AB2C4D34E38 -20.44 3.18 -7.31 -1.13 0
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214618 85083285 1 BrO5H27C31 AB5C27D31 -133.66 3.98 -9.6 -0.9 0
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214619 85083289 1 S2N5O7C24H25 A2B5C7D24E25 -125.71 4.26 -8.68 -0.94 0
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214620 85083290 1 N3O5C33H41 A3B5C33D41 -178.64 3.96 -8.58 -0.42 0
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214621 85083291 1 N2O9C29H40 A2B9C29D40 -318.54 3.87 -8.56 -0.58 0
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214622 85083292 2 OSN3H10C15 ABC3D10E15 158.12 3.22 -8.91 -1.52 0
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214623 85083293 2 OSN3H10C15 ABC3D10E15 157.93 8.12 -8.99 -1.5 0
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214624 85083298 1 N2O6C33H40 A2B6C33D40 -236.54 1.86 -9.35 -1.27 0
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214625 85083299 1 N4O7C29H44 A4B7C29D44 -341.71 5.88 -9.62 -0.06 0
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214626 85083300 8 OC4H6 AB4C6 -405.88 4.29 -10.3 -0.26 0
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214627 85083302 1 O7C33H52 A7B33C52 -328.11 3.67 -9.26 0.43 0
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214628 85083303 1 CuISCl2N2C18H23 ABCD2E2F18G23 102.74 9.91 0.0 0.0 0
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214629 85083304 2 SiO2C16H28 AB2C16D28 -310.72 2.54 -8.72 0.14 0
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214630 85083305 1 ClSO3N6H25C28 ABC3D6E25F28 5.49 1.83 -9.4 -1.3 0
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214631 85083307 1 N5O11C23H39 A5B11C23D39 -530.75 4.56 -9.91 -0.08 1
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214632 85083313 1 OSiTeC29H43 ABCD29E43 -27.63 2.1 0.0 0.0 0
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214633 85083316 1 BrN4O4H27C28 AB4C4D27E28 -54.09 2.54 -8.85 -0.92 0
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214634 85083317 1 SCl2N2O2H28C31 AB2C2D2E28F31 1.79 4.55 -9.19 -0.59 0
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214635 85083321 1 O2N5C22H33 A2B5C22D33 -66.95 5.69 -8.68 0.2 0
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214636 85083322 1 NO5C36H37 AB5C36D37 -96.03 2.26 -8.52 -0.12 0
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214637 85083324 1 SSiN3O5C29H33 ABC3D5E29F33 -124.87 4.43 -9.09 -0.79 0
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214638 85083325 1 NSO3C36H37 ABC3D36E37 -50.23 1.77 -8.29 0.06 0
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214640 85083328 2 NO3H16C17 AB3C16D17 -100.35 3.35 -9.28 -0.34 0
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214641 85083329 1 N4O7C30H44 A4B7C30D44 -359.79 3.15 -9.33 -0.22 0
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214642 85083330 2 NO2C18H20 AB2C18D20 -108.69 5.06 -8.06 -0.34 0
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214643 85083331 1 SiO7C31H52 AB7C31D52 -367.37 6.67 -9.01 0.64 0
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214644 85083332 1 SiO4C34H64 AB4C34D64 -313.81 2.55 -9.66 1.69 0
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214645 85083333 1 PSN5O12C18H26 ABC5D12E18F26 -561.89 7.44 -9.96 -0.81 0
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214646 85083336 1 N3O7C31H39 A3B7C31D39 -272.59 7.16 -8.66 -0.4 2
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214647 85083337 1 MgPN3O14C18H28 ABC3D14E18F28 -678.47 18.41 -7.06 -1.9 0