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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406534 135077967 1 NSO2C17H23 ABC2D17E23 -14.73 6.35 -9.59 -0.32 0
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406535 135077968 1 NSO2C15H19 ABC2D15E19 -17.89 6.26 -9.62 -0.37 0
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406536 135077969 1 NSO2C17H21 ABC2D17E21 14.87 6.44 -9.52 -0.4 0
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406537 135077970 1 NSO2C21H23 ABC2D21E23 4.55 6.03 -9.22 -0.35 0
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406538 135078004 2 NC5H8 AB5C8 28.84 2.38 -8.24 0.42 0
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406539 135078008 1 NSO2C19H27 ABC2D19E27 -64.54 5.45 -9.36 -0.36 0
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406540 135078013 1 NS2O3C25H35 AB2C3D25E35 -108.98 3.99 -8.6 0.12 -2
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406542 135078015 1 CrO4H20C23 AB4C20D23 -6.43 2.79 -7.5 -0.4 0
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406543 135078016 1 OC20H20 AB20C20 47.38 1.32 -8.48 -0.4 0
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406544 135078017 1 CrO4H16C17 AB4C16D17 47.03 4.35 -7.61 -0.4 0
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406545 135078018 1 OC14H16 AB14C16 -26.23 3.71 -8.71 0.05 0
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406546 135078019 1 BNF3C14H29 ABC3D14E29 -260.62 18.1 -9.09 -0.56 0
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406547 135078020 1 BNF3C10H21 ABC3D10E21 -237.29 18.32 -9.73 -0.59 0
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406548 135078022 1 NOPC22H22 ABCD22E22 -16.8 2.66 -9.25 -0.02 0
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406549 135078023 1 BrNC18H18 ABC18D18 81.44 1.37 -8.31 -0.25 0
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406550 135078025 1 BrMgOC6H13 ABCD6E13 -126.24 3.6 -9.96 -0.57 0
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406551 135078026 1 BrMgOSiC6H15 ABCDE6F15 -162.2 6.66 -9.43 -0.33 0
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406552 135078027 1 SN2O5C18H22 AB2C5D18E22 -167.56 8.29 -8.89 -0.97 0
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406553 135078028 1 ON2F3C5H5 AB2C3D5E5 -177.09 5.58 -10.48 -0.42 0
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406554 135078029 1 F3O3N4C20H21 A3B3C4D20E21 -166.91 5.33 -8.61 -1.21 0
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406555 135078030 1 F3O3N4C20H21 A3B3C4D20E21 -165.34 4.68 -8.6 -1.33 0
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406556 135078031 1 O2Cl3N4H15C17 A2B3C4D15E17 22.46 2.02 -8.76 -1.49 0
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406557 135078032 1 O2Cl3N4H15C17 A2B3C4D15E17 26.31 1.09 -8.71 -1.43 0
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406558 135078033 1 ClO2F3N4H16C18 AB2C3D4E16F18 -120.06 6.88 -8.74 -1.46 -1
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406559 135078035 1 CdC2F5 AB2C5 -216.94 5.93 0.0 0.0 0
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406560 135078037 1 OCl2C11H16 AB2C11D16 -75.09 3.03 -10.09 -0.44 0
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406561 135078042 1 OSiC28H30 ABC28D30 28.32 3.0 -8.74 -0.4 0
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406562 135078043 1 NSnC17H37 ABC17D37 -41.42 1.35 -7.88 0.84 0
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406563 135078050 1 SN3O4H17C20 AB3C4D17E20 12.68 9.8 -9.32 -1.48 0
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406564 135078054 1 SeO2C16H20 AB2C16D20 -54.45 3.03 -8.54 -0.54 0
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406565 135078056 1 O4C11H16 A4B11C16 -157.6 2.45 -10.52 -0.25 0
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406566 135078064 1 OS2C17H22 AB2C17D22 1.22 1.29 -8.72 -0.14 0
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406567 135078074 1 NO2C16H19 AB2C16D19 9.06 1.7 -9.41 0.26 0
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406568 135078076 1 ClN2O2H11C14 AB2C2D11E14 50.56 3.16 -9.18 -1.74 0
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406569 135078077 1 NSSiO3C21H29 ABCD3E21F29 -79.05 6.34 -8.74 -0.46 0
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406570 135078087 1 N3H11C12 A3B11C12 60.89 1.57 -8.2 -0.22 0
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406571 135078091 1 O11H36C42 A11B36C42 -326.13 3.41 -9.62 -0.64 0
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406572 135078092 1 SO6C36H38 AB6C36D38 -167.79 3.88 -8.58 -0.02 0
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406573 135078093 3 O2C9H10 A2B9C10 -184.99 1.69 -9.38 0.21 0
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406574 135078094 1 N2O3H20C22 A2B3C20D22 49.27 6.99 -9.66 -1.54 0
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406575 135078095 1 NO2C23H23 AB2C23D23 11.07 2.15 -8.77 -0.13 0
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406576 135078096 1 NOC17H27 ABC17D27 -54.85 2.25 -8.6 0.25 0
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406577 135078098 1 N3O3C26H29 A3B3C26D29 -92.0 6.37 -8.42 -0.35 0
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406578 135078099 1 NO3H15C18 AB3C15D18 -16.02 1.44 -8.61 -0.95 0
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406579 135078100 6 OC5H5 AB5C5 -158.69 2.39 -9.35 -0.5 0
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406580 135078101 1 ClO8C29H35 AB8C29D35 -301.76 6.03 -9.39 0.08 0
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406582 135078103 1 SiN2O2C13H18 AB2C2D13E18 -58.9 1.1 -9.53 -0.23 1
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406583 135078104 1 SiN2O2C13H19 AB2C2D13E19 -39.37 2.44 0.0 0.0 0
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406584 135078105 1 SiN2O2C14H20 AB2C2D14E20 -62.24 1.22 -9.46 -0.25 1
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406585 135078106 1 SiN2O2C14H21 AB2C2D14E21 -44.41 2.54 0.0 0.0 0
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406586 135078107 1 SiN2O2C18H20 AB2C2D18E20 -23.75 1.35 -9.41 -0.29 1
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406587 135078108 1 SiN2O2C18H21 AB2C2D18E21 -5.92 3.34 0.0 0.0 0
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406588 135078109 1 WO6H14C23 AB6C14D23 134.81 5.22 -6.41 0.05 0
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406589 135078110 1 OWH14C18 ABC14D18 259.89 7.46 -6.66 -0.21 0
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406590 135078112 1 I2C21H26 A2B21C26 26.8 1.49 -8.96 -1.0 0
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406591 135078113 1 CrO5H10C17 AB5C10D17 -9.62 5.73 -8.1 -0.76 0
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406592 135078114 1 CrO6H14C19 AB6C14D19 -132.61 3.6 -8.19 -1.16 0
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406593 135078115 1 AlLiNOC25H53 ABCDE25F53 -158.96 16.91 -6.55 0.22 0
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406594 135078116 1 AlLiN2C30H64 ABC2D30E64 -150.0 4.27 -7.31 2.95 0
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406595 135078117 1 SO8C13H20 AB8C13D20 -367.81 3.02 -8.88 0.18 0
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406596 135078118 1 N2O2C41H66 A2B2C41D66 -138.23 5.38 -7.98 -0.45 0
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406597 135078119 1 Cl3N3O26C52H54 A3B3C26D52E54 -1067.56 4.75 -10.08 -1.6 0
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406598 135078120 1 Cl3N3O26C52H54 A3B3C26D52E54 -1056.49 7.33 -9.73 -1.71 0
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406599 135078121 1 SeO7C18H22 AB7C18D22 -295.44 1.75 -8.66 -0.49 0
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406600 135078122 1 NSO8C17H21 ABC8D17E21 -330.02 4.72 -9.04 -0.65 0
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406601 135078123 1 PdSiBr2S2N3O7H39C40 ABC2D2E3F7G39H40 -139.46 4.16 -7.98 -2.02 0
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406602 135078124 1 SiS2N3O7H39C40 AB2C3D7E39F40 -195.86 5.89 -8.95 -1.59 0
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406603 135078125 1 NSO16H49C57 ABC16D49E57 -471.56 6.04 -8.85 -0.8 0
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406604 135078126 1 NSO10H31C37 ABC10D31E37 -280.69 3.59 -9.39 -0.74 0
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406605 135078140 1 BrO2N3C15H18 AB2C3D15E18 -48.59 5.02 -9.73 -0.43 0
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406606 135078145 1 ClBr2Si5C27H63 AB2C5D27E63 -235.32 5.29 -8.05 -1.4 0
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406607 135078159 1 NO4H15C16 AB4C15D16 -67.94 5.55 -9.54 -0.8 0
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406608 135078160 1 NO6C19H19 AB6C19D19 -156.52 3.08 -9.17 -0.74 0
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406609 135078161 1 SO6C36H36 AB6C36D36 -146.38 8.13 -9.04 -0.85 0
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406610 135078163 1 SiS2C18H22 AB2C18D22 22.39 2.18 -8.19 0.06 0
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406611 135078164 1 ClOSH15C18 ABCD15E18 39.32 3.04 -8.77 -0.49 0
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406612 135078166 3 NOC3H5 ABC3D5 -62.83 3.62 -9.91 -0.07 0
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406613 135078167 1 NSiS2F6O9C24H37 ABC2D6E9F24G37 -597.55 5.55 -8.7 -1.44 0
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406614 135078168 2 FO2H10C13 AB2C10D13 -162.71 7.49 -9.18 -0.49 0
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406615 135078170 1 PSN2O3H15C19 ABC2D3E15F19 -1.35 10.47 -9.28 -1.56 0
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406616 135078171 1 NSO4H17C18 ABC4D17E18 -22.93 7.27 -8.73 -0.67 1
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406617 135078172 1 NOH14C17 ABC14D17 116.35 2.2 0.0 0.0 0
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406619 135078174 1 NO2C15H17 AB2C15D17 4.47 2.81 -9.29 -0.02 0
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406620 135078175 1 ClN2H13C17 AB2C13D17 74.53 3.01 -8.71 -0.63 0
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406621 135078176 1 O5C32H34 A5B32C34 -147.28 2.65 -9.35 0.0 0
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406622 135078177 1 NO5C14H15 AB5C14D15 -100.03 12.54 -9.95 -1.01 0
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406623 135078178 1 NO3C14H21 AB3C14D21 -143.94 0.38 -9.3 0.11 0
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406624 135078179 1 NOH15C16 ABC15D16 26.92 2.02 -9.57 -0.87 0
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406625 135078185 1 BrO2C17H19 AB2C17D19 -41.85 2.77 -9.35 -0.45 0
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406626 135078189 1 SSiO5C33H50 ABC5D33E50 -260.92 3.38 -8.56 -0.15 0
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406627 135078191 1 NPCl3O11C45H51 ABC3D11E45F51 -478.79 7.07 -9.07 -0.63 0
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406628 135078192 1 NF3O7C31H38 AB3C7D31E38 -420.1 4.44 -9.3 -0.22 0
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406629 135078195 1 SiN3O8C26H41 AB3C8D26E41 -341.18 1.66 -8.89 -0.24 -1
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406630 135078216 1 AlNOC25H45 ABCD25E45 -104.83 3.21 0.0 0.0 0
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406631 135078227 1 O10F17C38H43 A10B17C38D43 -1270.69 4.2 -9.98 -0.52 0
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406632 135078233 1 BNSiC10H23 ABCD10E23 12.16 3.13 0.0 0.0 0
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406633 135078234 1 NO2C15H21 AB2C15D21 -67.8 2.92 -9.44 0.32 0
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406634 135078235 1 ClNO2C12H22 ABC2D12E22 -117.65 2.38 -10.18 0.66 0
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406635 135078236 1 BrOSiF2C12H15 ABCD2E12F15 -128.44 3.7 -9.22 -0.67 0
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406636 135078237 1 LiSiI2S2C13H27 ABC2D2E13F27 20.89 16.69 -5.71 -1.25 0