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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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158990 57244376 1 OSN5C9H9 ABC5D9E9 78.19 7.74 -9.06 -1.7 0
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158991 57244385 1 F4N4O5H24C25 A4B4C5D24E25 -263.44 4.57 -9.31 -0.95 0
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158992 57244413 1 O2N3C8H19 A2B3C8D19 -127.16 0.57 -9.52 0.98 0
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158993 57244414 1 SN2O4C21H24 AB2C4D21E24 -47.05 3.52 -8.61 -1.27 0
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158994 57244432 1 O3C18H28 A3B18C28 -163.74 3.47 -9.98 0.58 0
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158995 57244445 1 BrNO2C16H18 ABC2D16E18 -43.97 2.22 -9.18 -0.34 0
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158996 57244446 1 OSN3F6C30H33 ABC3D6E30F33 -275.61 3.07 -8.66 -1.37 0
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158997 57244473 1 N3O4C16H21 A3B4C16D21 -148.68 3.37 -8.05 0.04 -1
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158998 57244477 1 SN2O4H19C24 AB2C4D19E24 -17.58 7.0 0.0 0.0 0
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158999 57244486 1 NO5H11C14 AB5C11D14 -82.81 6.23 -9.75 -1.62 0
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159000 57244497 1 NSO2F3H24C25 ABC2D3E24F25 -177.06 5.11 -8.86 -0.74 0
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159001 57244501 1 OF3C28H41 AB3C28D41 -224.97 5.42 -9.63 -0.45 0
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159002 57244502 1 N2O5H18C20 A2B5C18D20 -99.06 6.97 -9.9 -0.82 0
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159004 57244507 1 N2O4C20H23 A2B4C20D23 -80.32 9.46 0.0 0.0 0
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159005 57244508 1 ON2C32H38 AB2C32D38 16.77 3.89 -8.33 0.52 0
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159006 57244509 1 BrPN2C3H4O4 ABC2D3E4F4 -188.08 4.95 -9.4 -0.76 0
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159007 57244510 1 O2C27H36 A2B27C36 -76.33 4.64 -8.73 -1.08 0
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159009 57244512 1 N2O3C7H14 A2B3C7D14 -136.66 3.34 -9.77 0.52 0
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159010 57244513 2 NC8H11 AB8C11 34.78 2.59 -8.18 0.37 0
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159011 57244516 1 SN3O4C18H29 AB3C4D18E29 -192.04 4.2 -9.42 -0.61 0
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159012 57244517 1 ClON2H9C13 ABC2D9E13 34.63 6.47 -9.33 -0.62 0
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159013 57244520 1 FNC28H40 ABC28D40 -71.73 1.8 -9.1 -0.24 0
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159014 57244521 1 NOSH5C6 ABCD5E6 30.03 4.71 -9.08 -0.66 0
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159015 57244540 1 O3N6H36C41 A3B6C36D41 140.64 4.58 -9.6 -1.58 0
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159016 57244544 1 NO2C22H29 AB2C22D29 -77.77 1.57 -8.13 -0.12 0
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159017 57244549 1 NO3H9C10 AB3C9D10 -58.38 4.79 -9.13 -1.07 0
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159018 57244551 1 OSN2C10H10 ABC2D10E10 12.96 2.8 -8.39 -0.53 0
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159019 57244555 1 NC14H19 AB14C19 9.41 1.66 -8.68 0.38 0
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159020 57244558 1 NSiO3C24H37 ABC3D24E37 -202.67 1.08 -8.44 -0.22 0
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159021 57244561 1 N3O3C26H29 A3B3C26D29 -26.19 1.46 -8.99 -1.17 0
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159022 57244567 1 ON2C13H18 AB2C13D18 -38.08 4.56 -9.03 -0.39 0
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159023 57244571 1 NS2O4C13H21 AB2C4D13E21 -189.11 7.23 -9.44 -0.7 0
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159024 57244575 1 ClN3O3C18H22 AB3C3D18E22 -46.78 7.15 -8.88 -0.59 0
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159025 57244579 1 NPO3C24H38 ABC3D24E38 -183.0 6.72 -9.39 0.06 0
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159026 57244581 2 N2O2C10H11 A2B2C10D11 -10.73 3.64 -8.54 -0.77 0
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159027 57244586 1 SN2O5C24H26 AB2C5D24E26 -182.26 6.81 -9.61 -0.62 0
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159028 57244588 1 BrF2O3H13C14 AB2C3D13E14 -186.31 4.69 -10.0 -1.06 0
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159029 57244592 1 SO4N5C34H45 AB4C5D34E45 -80.26 7.61 -9.07 -0.65 0
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159030 57244598 1 OC18H34 AB18C34 -88.48 3.71 -9.82 -0.16 0
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159031 57244599 1 N3Cl4H11C17 A3B4C11D17 49.36 2.69 -9.19 -0.62 0
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159032 57244602 1 FN3O4H10C15 AB3C4D10E15 14.46 9.08 -9.35 -1.34 0
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159033 57244615 1 ClSF2N2O3C31H33 ABC2D2E3F31G33 -129.75 2.62 -8.74 -0.75 0
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159034 57244617 1 ON2C33H34 AB2C33D34 56.45 2.34 -8.76 -0.47 0
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159035 57244619 1 NS2O6C22H33 AB2C6D22E33 -252.96 6.8 -8.78 -0.86 0
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159036 57244620 1 O3C18H26 A3B18C26 -109.72 5.19 -9.31 -0.08 0
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159037 57244625 1 FON5C24H30 ABC5D24E30 -39.22 4.56 -8.18 -0.49 0
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159038 57244626 1 NOC8H17 ABC8D17 -39.81 0.89 -8.5 1.13 0
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159039 57244627 1 OSN5H23C26 ABC5D23E26 125.31 4.63 -8.18 -0.68 0
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159040 57244628 2 NC5H11 AB5C11 -29.64 1.05 -9.23 3.34 0
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159041 57244630 1 NOC12H17 ABC12D17 2.63 0.79 -8.99 0.13 0
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159042 57244631 2 NC5H9 AB5C9 8.05 3.33 -8.28 1.08 2
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159043 57244632 1 N2O12C53H72 A2B12C53D72 -377.91 19.84 -5.6 -0.5 0
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159044 57244633 1 OSCl2H6C8 ABC2D6E8 -29.22 1.88 -9.73 -1.31 0
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159045 57244634 1 SO4C16H34 AB4C16D34 -240.61 4.31 -10.67 -0.73 0
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159046 57260065 1 ClNSO3C33H34 ABCD3E33F34 -72.33 4.68 -9.02 -1.02 0
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159047 57260069 1 ClO2N4H11C15 AB2C4D11E15 111.89 1.49 -9.64 -1.17 0
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159048 57260070 1 O2C21H28 A2B21C28 -100.69 1.95 -8.46 0.42 0
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159049 57260071 1 SN5O7C20H25 AB5C7D20E25 -254.8 11.46 -9.29 -0.76 0
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159050 57260074 1 INSO8C18H18 ABCD8E18F18 -246.06 3.3 -9.52 -0.96 0
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159051 57260075 1 SN3C16H19 AB3C16D19 81.59 0.77 -8.47 -0.12 0
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159052 57260078 1 NO6C30H35 AB6C30D35 -206.02 4.45 -8.74 0.07 0
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159053 57260081 1 SN3O6H17C18 AB3C6D17E18 -183.8 1.69 -8.7 -1.43 0
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159054 57260082 1 ON6C10H12 AB6C10D12 24.64 2.55 -8.52 -0.56 0
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159055 57260086 1 NO2C16H25 AB2C16D25 -76.02 3.4 -8.24 0.31 0
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159056 57260087 1 Si2O7C41H66 A2B7C41D66 -430.66 8.26 -8.6 0.42 0
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159057 57260090 1 SN5O5C21H25 AB5C5D21E25 -73.81 5.52 -8.81 -1.44 0
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159058 57260091 1 FO4H11C15 AB4C11D15 -145.05 3.56 -10.41 -2.03 0
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159059 57260092 1 S3N5O6C16H23 A3B5C6D16E23 -162.8 8.9 -9.51 -1.12 0
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159060 57260100 2 NO2C19H26 AB2C19D26 -160.83 2.15 -8.63 0.02 0
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159061 57260101 1 N2O4C23H34 A2B4C23D34 -204.49 2.87 -9.94 -0.27 0
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159062 57260102 1 O22H42C43 A22B42C43 -781.38 6.13 -8.95 -2.15 0
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159063 57260103 1 NOC9H21 ABC9D21 -88.13 2.2 -9.31 2.56 0
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159064 57260104 14 CH2 AB2 -64.01 0.07 -10.18 4.02 0
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159065 57260105 1 O3C22H30 A3B22C30 -126.14 4.32 -9.58 -0.44 0
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159066 57260108 1 FN2S2O5C30H33 AB2C2D5E30F33 -178.5 4.0 -8.83 -0.67 0
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159067 57260109 1 ClNO3C14H18 ABC3D14E18 -143.76 5.38 -9.38 -0.09 0
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159068 57260110 6 OC4H7 AB4C7 -333.38 8.25 -9.83 0.49 0
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159069 57260111 1 O3C12H16 A3B12C16 -79.09 1.95 -8.51 0.4 0
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159070 57260112 1 OF2N4C17H20 AB2C4D17E20 -60.78 3.73 -9.31 -0.55 0
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159071 57260114 1 SN6C20H22 AB6C20D22 130.33 2.61 -8.32 -0.45 0
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159072 57260115 1 O4C15H22 A4B15C22 -175.93 2.95 -8.98 0.03 0
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159073 57260116 1 NF2O3H19C21 AB2C3D19E21 -114.15 2.11 -8.6 -0.56 0
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159074 57260119 1 NOSC7H9 ABCD7E9 -4.12 3.05 -9.33 -0.41 1
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159075 57260122 1 NC18H32 AB18C32 10.09 1.58 0.0 0.0 0
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159076 57260124 1 N2O3C13H14 A2B3C13D14 -91.11 1.86 -9.09 -0.71 0
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159077 57260125 1 ClNC12H16 ABC12D16 2.08 0.32 -8.78 -0.06 0
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159078 57260126 1 O3S3N4C16H22 A3B3C4D16E22 -88.16 9.24 -8.32 -0.91 0
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159079 57260127 1 SO2N3C22H27 AB2C3D22E27 -48.43 1.21 -8.87 -0.46 0
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159080 57260128 1 ClNSO2C11H16 ABCD2E11F16 -87.91 4.84 -9.29 -0.48 0
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159081 57260129 1 NO4C15H15 AB4C15D15 -100.49 3.42 -8.94 -0.63 0
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159082 57260130 1 ON2C18H20 AB2C18D20 49.76 3.69 -8.86 -0.19 0
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159083 57260132 1 N2O2H20C23 A2B2C20D23 8.09 7.28 -9.31 -0.74 0
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159084 57260133 2 NOC7H13 ABC7D13 -120.95 1.04 -9.82 0.45 0
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159085 57260137 2 N2O3C10H18 A2B3C10D18 -278.41 3.85 -9.56 -0.38 1
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159086 57260138 1 NPSO2C8H19 ABCD2E8F19 -132.69 6.99 0.0 0.0 0
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159087 57260139 1 FSN2O3C18H19 ABC2D3E18F19 -129.8 1.27 -8.26 -0.78 0
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159088 57260140 2 OC19H36 AB19C36 -203.55 2.58 -9.88 0.86 0
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159089 57260141 1 PC20H25 AB20C25 2.61 1.2 -8.66 -0.4 0
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159090 57260142 1 ClSN2F3O3H12C17 ABC2D3E3F12G17 -179.0 7.43 -8.65 -1.42 -1
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159091 57260144 1 SN3O7H10C13 AB3C7D10E13 -124.46 9.13 0.0 0.0 0