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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395620 135026030 1 N3F4O5H21C25 A3B4C5D21E25 -337.92 1.5 -8.98 -0.43 0
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395621 135026032 1 N2O2F3H15C17 A2B2C3D15E17 -197.16 6.33 -9.26 -1.23 0
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395622 135026036 1 OH18C24 AB18C24 71.35 0.94 -8.46 -0.62 -1
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395623 135026040 1 OPdH15C18 ABC15D18 91.73 3.46 0.0 0.0 0
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395624 135026042 1 O5H28C32 A5B28C32 -25.15 4.23 -8.48 -0.55 0
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395625 135026043 1 OC12H18 AB12C18 -17.39 2.41 -8.52 0.02 0
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395626 135026044 1 ON2C29H42 AB2C29D42 -36.6 4.4 -8.04 -0.67 0
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395627 135026047 1 SeN2H14C15 AB2C14D15 72.85 3.7 -8.2 -0.71 0
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395628 135026053 1 O7C12H22 A7B12C22 -335.61 4.3 -10.38 -0.61 0
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395629 135026055 1 ON2C27H32 AB2C27D32 -5.26 5.0 -9.19 -0.4 0
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395630 135026057 1 O2H24C25 A2B24C25 -28.13 2.53 -8.81 -0.6 0
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395631 135026059 1 N6O8C41H48 A6B8C41D48 -291.34 3.82 -8.64 -0.34 0
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395632 135026060 1 SO13N16C58H88 AB13C16D58E88 -628.89 6.1 -8.75 -0.28 0
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395633 135026062 1 N2C19H24 A2B19C24 132.47 3.03 -8.15 -1.21 0
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395634 135026063 1 SN2O2F3C18H23 AB2C2D3E18F23 -219.98 3.49 -8.48 -0.54 0
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395635 135026064 2 O5C8H11 A5B8C11 -465.37 2.38 -10.85 0.47 0
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395636 135026065 2 O5C8H11 A5B8C11 -473.37 4.95 -10.8 0.5 0
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395637 135026068 1 O5H26C27 A5B26C27 -106.56 4.73 -8.79 -0.36 0
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395638 135026069 1 O9C19H20 A9B19C20 -364.86 3.02 -10.12 -0.72 1
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395639 135026070 1 O7C19H23 A7B19C23 -260.21 6.18 0.0 0.0 0
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395640 135026071 1 O3C14H17 A3B14C17 -96.77 3.04 0.0 0.0 0
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395641 135026072 2 NOC8H8 ABC8D8 -7.13 5.26 -9.05 -0.39 0
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395642 135026074 1 N7C11H11 A7B11C11 184.58 3.46 -9.95 -0.49 0
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395643 135026078 1 N2O2F3C17H17 A2B2C3D17E17 -194.21 4.48 -9.37 -1.22 0
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395644 135026079 1 ClON2H17C18 ABC2D17E18 2.62 5.53 -8.62 -0.22 1
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395645 135026083 3 NC6H6 AB6C6 155.74 3.32 0.0 0.0 0
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395646 135026084 1 BrN2O4C16H19 AB2C4D16E19 -178.46 2.38 -9.76 -0.51 0
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395647 135026088 1 NO7C19H27 AB7C19D27 -307.48 3.5 -9.64 -0.04 0
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395648 135026089 1 NO7C21H31 AB7C21D31 -325.37 1.57 -9.6 0.02 0
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395649 135026090 1 NF3O3C19H20 AB3C3D19E20 -256.36 3.59 -9.42 -0.16 0
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395650 135026092 1 NF3O3C14H16 AB3C3D14E16 -274.14 3.1 -9.73 -0.14 0
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395651 135026108 1 N3O3F5H20C26 A3B3C5D20E26 -205.66 5.33 -8.29 -1.22 2
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395652 135026119 2 N2O2H9C10 A2B2C9D10 48.97 2.57 -5.7 -3.38 0
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395653 135026121 1 NOH17C21 ABC17D21 46.62 2.38 -7.92 -0.12 0
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395654 135026124 1 NS2O4H25C27 AB2C4D25E27 -62.36 3.0 -8.76 -0.9 0
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395655 135026136 1 NO3C17H25 AB3C17D25 -120.98 2.7 -9.76 -0.15 0
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395656 135026140 1 NO5C19H25 AB5C19D25 -188.34 2.94 -9.5 0.12 0
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395657 135026143 2 O3C12H22 A3B12C22 -337.29 2.35 -9.22 -0.14 0
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395658 135026146 1 NO4C17H21 AB4C17D21 -154.82 4.12 -8.33 -0.53 0
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395659 135026156 1 IN2C13H15 AB2C13D15 58.97 5.3 -8.5 -0.57 0
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395660 135026157 1 SO2H18C22 AB2C18D22 13.81 2.35 -8.28 -0.54 -1
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395662 135026174 2 IH6C10 AB6C10 112.12 1.68 -9.24 -0.9 0
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395663 135026182 1 NO3H21C27 AB3C21D27 28.18 3.65 -8.84 -0.51 0
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395664 135026184 1 ClO2H17C19 AB2C17D19 -28.96 2.05 -9.36 -0.56 0
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395665 135026191 1 BrN2O5C16H21 AB2C5D16E21 -222.19 1.28 -9.64 -0.53 0
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395666 135026194 1 OC20H24 AB20C24 -5.18 1.34 -8.63 0.18 0
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395667 135026201 1 N3O5C28H31 A3B5C28D31 -157.14 1.57 -8.06 -0.31 0
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395668 135026208 1 BrN4O4C26H29 AB4C4D26E29 -103.34 3.42 -8.64 -0.54 0
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395669 135026214 1 NOH23C28 ABC23D28 66.54 6.82 -8.48 -0.32 -1
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395670 135026217 1 NPdO5C6H12 ABC5D6E12 -139.56 1.99 0.0 0.0 0
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395671 135026223 1 O6N7C51H59 A6B7C51D59 -69.18 6.34 -8.99 -0.28 0
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395672 135026225 1 N3O6H13C14 A3B6C13D14 -118.22 7.48 -10.14 -1.02 0
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395673 135026229 2 O3H14C19 A3B14C19 -60.26 1.23 -8.75 -1.68 0
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395674 135026234 2 OH14C22 AB14C22 114.38 0.93 -9.25 -0.81 0
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395675 135026250 1 SN2O5C27H32 AB2C5D27E32 -178.75 4.71 -9.39 -0.15 0
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395676 135026252 1 ClNO5C19H22 ABC5D19E22 -200.27 3.27 -9.62 -0.36 0
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395677 135026253 1 OC20H24 AB20C24 -4.23 1.38 -8.61 0.22 0
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395678 135026255 1 NO3C22H29 AB3C22D29 -118.35 9.36 -8.69 -0.45 0
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395679 135026256 1 NO3C18H21 AB3C18D21 -93.9 6.58 -8.61 -0.99 0
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395680 135026257 1 NO6H15C20 AB6C15D20 -157.91 6.92 -9.18 -1.88 0
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395681 135026258 1 NO2H17C23 AB2C17D23 44.47 7.98 -9.08 -1.06 0
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395682 135026259 1 NO2H25C27 AB2C25D27 19.75 6.37 -8.09 -0.33 0
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395683 135026260 1 ON2C22H24 AB2C22D24 25.44 4.33 -9.08 -0.58 0
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395684 135026261 1 ON2C23H26 AB2C23D26 21.27 4.29 -9.08 -0.61 0
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395685 135026262 1 ON2C25H30 AB2C25D30 10.75 4.4 -9.06 -0.55 0
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395686 135026263 1 SN3O3C15H21 AB3C3D15E21 -104.35 7.97 -9.26 -0.46 0
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395687 135026264 1 O2N3C23H25 A2B3C23D25 -17.11 6.76 -8.92 -0.48 0
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395688 135026265 1 SSiO5C34H44 ABC5D34E44 -193.56 1.39 -8.13 0.08 0
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395689 135026266 1 SSiO5C34H44 ABC5D34E44 -189.01 1.24 -8.62 0.09 0
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395690 135026267 1 SSiO5C35H44 ABC5D35E44 -197.72 4.13 -8.36 0.01 0
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395691 135026268 1 SiO6C31H44 AB6C31D44 -314.69 3.95 -8.37 -0.28 0
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395692 135026271 1 O3N4C17H18 A3B4C17D18 -36.0 10.13 -9.2 -0.6 0
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395693 135026272 1 O2N3C17H27 A2B3C17D27 -69.83 3.25 -8.41 0.17 0
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395694 135026273 1 NO3H13C14 AB3C13D14 -66.16 4.87 -8.35 -1.49 0
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395695 135026274 2 NOC9H10 ABC9D10 -14.55 1.43 -9.04 -0.65 0
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395696 135026275 2 NOCl2H8C9 ABC2D8E9 -46.78 4.66 -9.36 -1.25 0
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395697 135026276 2 NOCl2H8C9 ABC2D8E9 -47.1 5.24 -9.21 -0.88 0
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395698 135026279 2 O2C11H11 A2B11C11 -78.57 3.74 -8.28 -0.25 0
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395700 135026281 4 O2C5H8 A2B5C8 -337.35 3.27 -9.52 0.08 -1
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395702 135026283 1 NSO3C11H21 ABC3D11E21 -135.1 4.37 -8.45 -0.06 0
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395703 135026284 2 O2F5H12C28 A2B5C12D28 -311.98 0.63 -8.6 -1.33 0
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395704 135026286 1 N2F3H7C12 A2B3C7D12 -52.29 2.17 -9.4 -1.43 0
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395705 135026287 1 SiO3C17H24 AB3C17D24 -128.03 1.4 -8.97 -0.92 0
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395706 135026288 1 SiO4C22H32 AB4C22D32 -192.64 3.56 -8.62 -0.97 0
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395707 135026289 1 NSO2H13C16 ABC2D13E16 -30.24 1.26 -8.49 -0.53 0
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395708 135026290 2 ON3C7H10 AB3C7D10 12.62 7.03 -9.59 -0.35 0
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395709 135026291 1 O2N6C19H22 A2B6C19D22 45.2 7.4 -9.58 -0.46 0
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395710 135026292 2 O4H11C24 A4B11C24 8.57 1.38 -9.49 -2.49 0
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395711 135026296 1 NOH23C27 ABC23D27 54.19 4.26 -8.75 -0.35 0
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395712 135026299 1 O3C20H28 A3B20C28 -104.16 3.67 -8.33 -0.3 0
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395713 135026300 1 OBr2C16H18 AB2C16D18 -17.39 3.94 -9.29 -0.82 0
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395714 135026303 1 ON2C19H22 AB2C19D22 2.44 4.79 -8.54 -0.5 0
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395715 135026317 1 O3C10H16 A3B10C16 -92.58 4.81 -9.68 0.68 0
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395716 135026318 1 ClNH14C15 ABC14D15 33.75 3.22 -7.99 -0.17 0
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395717 135026325 1 N2F3H11C19 A2B3C11D19 -53.13 6.41 -9.61 -1.4 0
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395718 135026328 1 O3N7C24H31 A3B7C24D31 -15.15 5.89 -9.49 -0.19 -1
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395719 135026336 1 PN5O15C27H43 AB5C15D27E43 -553.17 17.07 0.0 0.0 0
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395720 135026337 1 PN5O15C27H44 AB5C15D27E44 -581.29 19.8 -9.2 -1.84 0
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395721 135026339 1 KO2H9C17 AB2C9D17 -51.21 13.18 -8.55 -1.21 0
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395722 135026341 1 NSO4C17H27 ABC4D17E27 -182.02 5.25 -9.07 -0.85 0