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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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375522 134213793 1 S2N17O18C95H119 A2B17C18D95E119 -588.52 27.97 -6.78 -2.24 0
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375523 134213801 1 SN16O18C97H120 AB16C18D97E120 -627.63 13.55 -8.43 -1.7 0
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375524 134213806 1 SO19N23C92H135 AB19C23D92E135 -746.54 7.49 -7.12 -1.17 0
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375525 134213808 1 SN16O18C93H118 AB16C18D93E118 -605.36 33.24 -6.0 -2.04 0
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375526 134213812 1 S3O20N23C90H125 A3B20C23D90E125 -658.0 9.83 -8.49 -0.66 0
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375527 134213817 1 S2O19N23C92H129 A2B19C23D92E129 -576.52 15.62 -7.14 -1.08 0
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375528 134213822 1 SN21O23C90H123 AB21C23D90E123 -968.41 11.44 -8.38 -0.68 0
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375529 134213827 1 SO21N23C88H121 AB21C23D88E121 -743.09 27.45 -8.41 -1.91 0
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375530 134213832 1 SO21N22C89H122 AB21C22D89E122 -738.13 11.38 -7.03 -1.35 0
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375531 134213837 1 SN22O22C91H128 AB22C22D91E128 -906.06 10.95 -8.54 -0.42 0
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375532 134213848 1 SO19N21C90H131 AB19C21D90E131 -815.31 11.86 -8.23 -0.34 0
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375534 134213850 1 FSO18N24C92H129 ABC18D24E92F129 -399.68 7.31 -7.13 -1.49 0
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375535 134213852 1 SO20N22C95H136 AB20C22D95E136 -851.73 15.99 -7.94 -0.61 0
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375537 134213855 1 SN22O22C93H130 AB22C22D93E130 -610.98 18.02 -6.56 -2.69 0
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375538 134213856 1 SO17N22C92H126 AB17C22D92E126 -605.25 3.23 -8.27 -0.76 0
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375539 134213859 1 SO19N24C93H132 AB19C24D93E132 -733.93 15.28 -8.05 -1.41 0
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375540 134213864 1 O3N5C10H21 A3B5C10D21 -107.54 3.05 -9.28 0.68 0
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375541 134213867 1 SF3O19N23C89H126 AB3C19D23E89F126 -818.98 24.45 -7.47 -1.77 0
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375544 134213876 1 SO20N22C93H124 AB20C22D93E124 -753.81 22.99 -8.44 -1.28 0
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375546 134213880 1 SO20N24C90H126 AB20C24D90E126 -596.63 18.31 -7.74 -3.16 0
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375547 134213883 1 SF3O19N24C92H129 AB3C19D24E92F129 -818.9 10.36 -7.8 -1.11 0
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375548 134213896 1 SO19N24C87H124 AB19C24D87E124 -756.68 16.56 -8.59 -0.81 0
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375549 134213903 1 S3O20N23C90H125 A3B20C23D90E125 -672.82 14.41 -7.54 -0.92 0
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375556 134213930 2 N4H35C54 A4B35C54 552.13 3.26 -8.58 -0.93 0
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375557 134213932 1 ClNC8H12 ABC8D12 6.74 3.09 -7.97 0.27 0
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375558 134213935 1 O8N9C58H95 A8B9C58D95 -381.23 12.81 -9.17 -1.0 0
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375559 134213940 1 N2H66C73 A2B66C73 204.71 1.94 -7.82 -0.62 0
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375560 134213942 2 NH35C38 AB35C38 178.09 1.22 -7.9 -0.68 0
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375561 134213945 1 N2O2S2H14C19 A2B2C2D14E19 40.41 5.64 -8.4 -0.81 0
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375562 134213949 1 N2C73H78 A2B73C78 111.08 4.33 -7.66 -0.42 0
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375563 134213959 1 NPSO4C16H20 ABCD4E16F20 -150.27 1.48 -8.86 -0.83 0
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375564 134213967 1 NPC17H20 ABC17D20 11.9 2.95 -8.09 -0.27 0
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375565 134213968 1 NOPC18H22 ABCD18E22 -56.8 3.94 -8.54 -0.56 0
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375566 134213970 1 NOPC18H20 ABCD18E20 -17.88 3.66 -8.38 -0.75 0
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375567 134213971 1 NPC32H32 ABC32D32 59.54 1.07 -8.11 -0.33 0
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375568 134213972 1 N2C21H28 A2B21C28 8.79 2.87 -7.92 0.45 0
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375569 134213973 1 NPO3C17H20 ABC3D17E20 -111.74 0.76 -8.63 -1.26 0
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375570 134213974 1 PN3O4C35H42 AB3C4D35E42 -136.04 7.76 -7.93 -0.6 0
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375571 134213975 1 OSN2H20C22 ABC2D20E22 45.03 6.2 -8.13 -0.44 0
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375572 134213994 2 OC20H38 AB20C38 -248.14 1.8 -9.98 0.68 0
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375573 134213996 1 NO6C42H85 AB6C42D85 -433.03 2.12 -9.74 0.76 0
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375574 134213999 1 NSO2F6C19H19 ABC2D6E19F19 -373.67 6.3 -10.34 -1.22 0
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375575 134214001 1 INOC5H10 ABCD5E10 -31.2 2.23 -9.18 -1.55 0
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375576 134214004 1 ClO2F3N3H19C20 AB2C3D3E19F20 -198.59 8.15 -9.27 -1.02 0
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375577 134214008 1 ClF3N3O3C21H21 AB3C3D3E21F21 -246.97 7.14 -9.3 -1.12 0
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375578 134214010 1 SCl2O3N4C20H20 AB2C3D4E20F20 -67.58 8.22 -8.54 -1.1 0
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375579 134214012 1 ClN3O3F5C20H21 AB3C3D5E20F21 -353.47 8.81 -8.95 -0.92 0
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375580 134214013 2 OC8H17 AB8C17 -165.17 2.65 -10.19 2.23 0
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375581 134214014 1 IS4C5H9 AB4C5D9 35.63 1.82 -9.04 -1.98 0
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375582 134214022 1 OS3C7H12 AB3C7D12 -55.39 3.4 -9.21 -0.51 0
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375583 134214023 1 NC10H19 AB10C19 -14.25 2.59 -8.21 1.13 0
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375584 134214029 1 ClOF3N4H18C20 ABC3D4E18F20 -127.38 8.5 -9.28 -1.09 0
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375585 134214031 1 Cl2F3N3O3H18C20 A2B3C3D3E18F20 -246.42 8.43 -9.22 -1.04 0
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375586 134214032 1 ClF3N3O3C22H23 AB3C3D3E22F23 -251.86 7.12 -8.98 -0.98 0
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375587 134214034 1 INO2C7H14 ABC2D7E14 -78.87 2.42 -9.0 -0.98 0
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375588 134214035 1 ClN2O3C17H23 AB2C3D17E23 -132.61 4.37 -9.32 -0.82 0
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375589 134214036 1 ClO2N3F4H18C20 AB2C3D4E18F20 -245.03 9.68 -9.52 -1.08 0
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375590 134214037 1 ClF3N4O4C19H22 AB3C4D4E19F22 -286.04 1.61 -8.88 -0.62 0
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375591 134214038 1 SF2N2C12H20 AB2C2D12E20 -97.95 6.62 -8.75 -0.08 0
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375592 134214039 1 NOCl2C8H9 ABC2D8E9 -37.82 3.45 -9.79 -0.97 0
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375593 134214047 1 ClF3N3O3C20H21 AB3C3D3E20F21 -248.02 8.16 -8.9 -1.05 0
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375594 134214048 1 Cl2F3N3O3C20H20 A2B3C3D3E20F20 -253.09 10.19 -9.01 -1.13 0
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375595 134214065 1 NOC11H17 ABC11D17 -43.39 0.76 -8.69 0.12 0
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375596 134214066 1 FOS2N7H20C22 ABC2D7E20F22 30.06 5.12 -8.35 -1.4 0
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375597 134214067 1 ON6C19H20 AB6C19D20 55.0 7.72 -9.16 -0.67 0
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375598 134214069 1 OS5N7C23H23 AB5C7D23E23 86.37 4.37 -8.18 -1.57 0
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375599 134214073 1 O3N8C28H34 A3B8C28D34 -11.14 8.07 -8.99 -0.72 0
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375600 134214075 1 N5C11H15 A5B11C15 47.7 2.5 -9.03 -0.56 -1
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375601 134214079 1 F2S2O8C10H11 A2B2C8D10E11 -354.87 6.8 0.0 0.0 0
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375602 134214080 2 FSO4C5H6 ABC4D5E6 -379.99 3.29 -9.82 -1.23 0
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375603 134214083 1 O2N5C24H25 A2B5C24D25 48.4 4.75 -8.89 -0.58 0
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375604 134214088 1 ON7C23H23 AB7C23D23 74.1 3.39 -9.28 -1.16 0
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375605 134214090 1 FON6H25C26 ABC6D25E26 30.65 3.26 -9.23 -1.27 0
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375606 134214095 1 ON6C20H28 AB6C20D28 2.44 7.58 -8.53 -0.55 0
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375607 134214098 1 F2N6C19H26 A2B6C19D26 -58.64 5.52 -8.71 -0.59 0