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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127574 51007008 1 ClNSO5C20H22 ABCD5E20F22 -164.21 7.1 -9.64 -0.42 0
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127575 51007009 1 N2O3C11H12 A2B3C11D12 -102.63 5.61 -8.8 -0.24 0
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127576 51007010 1 OSC7H10 ABC7D10 3.65 4.61 -8.95 0.5 0
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127578 51007012 1 N3O3C18H25 A3B3C18D25 -133.28 3.99 -8.86 -0.35 0
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127579 51007013 1 ON2H20C21 AB2C20D21 53.56 2.81 -9.1 -0.76 0
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127580 51007055 1 Cl2N4O5H24C25 A2B4C5D24E25 -129.05 4.88 -9.04 -1.43 0
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127581 51007104 1 NO36C49H75 AB36C49D75 -1573.67 3.46 -8.85 -0.46 0
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127582 51007105 1 N3O4C21H25 A3B4C21D25 -88.35 4.76 -8.66 -0.46 0
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127583 51007106 1 O3C25H34 A3B25C34 -136.54 4.17 -9.35 0.33 0
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127584 51007212 2 O5C21H27 A5B21C27 -375.65 11.06 -8.7 -0.7 0
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127585 51007372 1 N2O3C21H22 A2B3C21D22 -61.97 2.89 -9.51 -0.85 0
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127586 51007409 1 NSO4C18H23 ABC4D18E23 -145.13 6.17 -9.38 -0.34 0
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127587 51007457 1 O7C17H22 A7B17C22 -235.39 3.28 -9.66 -0.3 0
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127588 51007606 1 N3O36C55H83 A3B36C55D83 -1566.12 12.24 -8.69 -0.36 0
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127589 51007621 1 Cl2N3O3C35H39 A2B3C3D35E39 -58.18 2.95 -8.88 -0.55 0
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127590 51007622 1 FN2O4C38H45 AB2C4D38E45 -203.92 8.06 -8.82 -0.37 0
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127591 51007623 1 O5C21H24 A5B21C24 -135.83 3.22 -8.48 -0.56 0
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127592 51007624 1 O27C56H92 A27B56C92 -1297.44 6.23 -9.75 -0.18 0
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127593 51007788 2 O2C12H13 A2B12C13 -94.18 2.4 -9.34 -0.25 0
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127594 51007802 1 O2F5H11C14 A2B5C11D14 -267.63 3.78 -9.97 -0.78 0
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127595 51007881 1 NO4C15H23 AB4C15D23 -184.01 5.32 -9.3 0.17 0
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127596 51007906 2 N3H11C15 A3B11C15 219.48 9.12 -9.04 -0.8 0
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127597 51007923 1 NCl2O3H13C15 AB2C3D13E15 -91.27 5.23 -9.16 -0.68 0
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127598 51007980 1 N2O3C21H28 A2B3C21D28 -113.56 4.47 -8.81 0.28 0
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127599 51008164 1 NO3C9H11 AB3C9D11 -85.29 3.89 -10.2 -0.27 0
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127600 51008231 1 N2O6C21H30 A2B6C21D30 -212.13 4.08 -9.21 -0.11 0
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127601 51008235 2 OC6H8 AB6C8 -61.58 2.55 -10.17 0.39 0
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127602 51008246 1 SO5C16H20 AB5C16D20 -197.18 7.22 -10.1 -0.5 0
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127603 51008273 1 O3C10H16 A3B10C16 -146.74 4.21 -9.52 0.3 0
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127604 51008274 1 NO9C38H49 AB9C38D49 -232.49 7.3 -8.76 -0.69 0
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127605 51008283 1 BrO3C15H21 AB3C15D21 -129.09 2.58 -9.92 -0.1 0
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127606 51008359 2 O3C12H16 A3B12C16 -285.36 3.78 -9.9 0.46 0
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127607 51008360 2 NO2C9H11 AB2C9D11 -129.53 6.22 -8.28 0.11 0
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127608 51008361 1 O4C17H28 A4B17C28 -219.32 3.11 -10.55 0.8 0
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127609 51008362 2 NC9H10 AB9C10 31.73 3.28 -8.42 -0.27 0
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127610 51008363 1 O3C16H22 A3B16C22 -131.14 5.87 -9.45 -0.4 0
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127611 51008364 1 SN2F3O5C21H25 AB2C3D5E21F25 -326.93 11.5 -9.95 -1.02 0
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127612 51008365 1 Br3H11C15 A3B11C15 55.58 2.9 -9.05 -1.04 0
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127613 51008400 1 BrO2H11C14 AB2C11D14 23.4 2.29 -9.29 -0.86 0
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127614 51008401 1 OC12H20 AB12C20 -36.91 1.8 -9.13 1.32 0
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127615 51008402 1 NO3C19H25 AB3C19D25 -86.57 4.84 -9.04 0.6 0
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127616 51008480 1 N2S2O45C69H100 A2B2C45D69E100 -1930.78 10.85 -8.98 -1.11 0
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127617 51008481 1 NOC15H21 ABC15D21 -31.48 1.7 -8.66 0.29 0
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127618 51008542 1 NO6C26H31 AB6C26D31 -186.59 4.96 -9.97 -0.73 2
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127619 51008557 2 ON2C16H22 AB2C16D22 79.43 37.09 -3.38 -1.74 0
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127621 51008970 1 O3N4C24H30 A3B4C24D30 -63.89 3.85 -8.91 -0.21 0
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127622 51008971 1 O3C14H18 A3B14C18 -129.37 2.78 -9.76 -0.21 0
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127623 51009004 2 OC6H8 AB6C8 -66.95 1.92 -9.59 0.25 0
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127624 51009023 1 O3C18H26 A3B18C26 -115.36 3.43 -9.45 0.47 0
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127625 51009025 1 ClN2O3H13C16 AB2C3D13E16 -50.98 4.39 -9.18 -0.61 0
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127626 51009108 1 N2O37C56H80 A2B37C56D80 -1604.99 4.71 -8.84 -0.72 0
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127627 51009124 1 O2C11H16 A2B11C16 -101.52 5.45 -9.87 0.59 0
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127628 51009190 1 ClN2O8C30H37 AB2C8D30E37 -334.83 2.92 -8.81 -0.59 0
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127629 51009191 1 ClN2O8C30H37 AB2C8D30E37 -338.24 4.36 -8.93 -0.74 0
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127630 51009200 1 NSO3H21C22 ABC3D21E22 -33.01 6.3 -8.62 -0.58 0
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127631 51009303 1 IO2C16H23 AB2C16D23 -44.38 3.52 -9.0 -0.38 0
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127632 51009447 1 O5C31H48 A5B31C48 -189.55 4.77 -9.21 -0.81 0
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127633 51009448 1 NOC14H17 ABC14D17 13.39 2.81 -8.95 0.31 0
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127634 51009467 1 NO2C18H23 AB2C18D23 -39.41 1.15 -9.15 0.28 0
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127635 51009482 1 NOC13H17 ABC13D17 -26.67 0.85 -9.64 0.0 0
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127636 51009483 1 NCl4O4H17C24 AB4C4D17E24 10.0 5.55 -9.04 -1.32 0
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127637 51009484 1 NCl4O4H17C24 AB4C4D17E24 7.75 3.71 -8.81 -1.44 0
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127638 51009522 1 NO5C16H17 AB5C16D17 -176.91 4.27 -8.46 0.03 0
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127639 51009581 1 SO2N3H25C27 AB2C3D25E27 37.71 7.17 -8.92 -0.46 0
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127640 51009621 2 O2C9H15 A2B9C15 -178.46 5.34 -9.19 0.48 0
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127641 51009622 1 ClN3O3C34H38 AB3C3D34E38 -71.79 8.44 -8.88 -0.35 0
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127642 51009734 1 Si2O5C34H52 A2B5C34D52 -309.89 0.64 -8.89 -0.01 0
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127643 51009852 1 N2O3C22H26 A2B3C22D26 -41.33 13.61 -8.79 -0.97 0
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127644 51009906 1 ClOC11H19 ABC11D19 -61.19 2.81 -9.93 0.53 0
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127645 51010039 1 S2N7H33C42 A2B7C33D42 243.89 2.79 -8.32 -1.36 0
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127646 51010071 1 O3C8H10 A3B8C10 -99.97 4.03 -9.68 -0.78 0
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127647 51010072 1 SiO4C23H36 AB4C23D36 -222.11 3.09 -8.83 0.25 0
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127648 51010073 1 SiO4C22H34 AB4C22D34 -182.8 3.5 -9.15 0.51 0
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127649 51010221 1 O5C21H24 A5B21C24 -137.44 4.97 -8.45 -0.6 0
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127650 51010443 2 O3C12H16 A3B12C16 -274.19 5.52 -10.16 0.29 0
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127653 51010446 8 SO6C10H16 AB6C10D16 -2250.38 8.09 -8.58 -0.36 0
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127654 51010447 1 SO6C19H28 AB6C19D28 -215.09 1.79 -8.28 0.34 0
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127655 51010448 1 SO6C19H28 AB6C19D28 -211.61 5.16 -8.24 0.08 0
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127656 51010449 2 O2F3H7C11 A2B3C7D11 -409.5 5.82 -10.01 -1.43 0
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127657 51010450 1 NO3C28H31 AB3C28D31 -65.49 4.13 -8.93 -0.67 0
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127658 51010473 1 O5H20C23 A5B20C23 -99.82 4.91 -8.7 -1.78 0
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127659 51010497 1 O4N5C20H27 A4B5C20D27 -117.1 3.94 -8.64 0.1 0
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127660 51010498 1 SN2O2F3C19H19 AB2C2D3E19F19 -177.24 3.62 -8.77 -0.83 0
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127661 51010499 1 O2F6H20C25 A2B6C20D25 -276.75 3.6 -9.95 -0.73 0
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127662 51010500 2 OC5H8 AB5C8 -104.27 4.7 -10.63 0.78 0
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127663 51010501 1 NO4C16H19 AB4C16D19 -147.36 8.52 -8.66 -0.18 0
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127664 51010502 1 NO4C16H19 AB4C16D19 -150.65 9.0 -8.69 -0.29 0
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127665 51010503 1 IN2O4H15C17 AB2C4D15E17 -100.72 10.19 -9.57 -1.21 0
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127666 51010608 1 NOC16H23 ABC16D23 -9.16 3.36 -8.4 0.25 0
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127667 51010629 2 O3C13H22 A3B13C22 -333.35 5.89 -9.83 0.98 0
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127668 51010638 1 ClNOC8H8 ABCD8E8 5.83 3.57 -10.68 -0.26 0
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127669 51010639 1 FNOC22H26 ABCD22E26 -58.95 2.44 -8.82 -0.08 0
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127670 51010640 1 NO4C16H17 AB4C16D17 -119.51 3.82 -9.62 -0.02 0
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127671 51010641 1 IO37C51H77 AB37C51D77 -1582.14 1.65 -9.01 -1.43 0
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127672 51010711 1 NSO6H21C24 ABC6D21E24 -78.06 9.76 -8.96 -0.41 0
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127673 51010742 1 FNO3C14H14 ABC3D14E14 -122.74 2.72 -8.54 -0.1 0
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127674 51010750 1 NO2S4H35C36 AB2C4D35E36 -3.24 1.76 -8.6 -0.69 0
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127675 51010751 1 N2S2O5C25H32 A2B2C5D25E32 -149.97 8.23 -9.42 -1.94 0
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127676 51010752 2 O2C8H13 A2B8C13 -193.3 1.49 -9.59 1.44 0
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127677 51010914 1 N2O3F4C25H28 A2B3C4D25E28 -270.75 3.85 -8.68 -0.24 0