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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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302454 124361807 1 ClSO2N5C23H24 ABC2D5E23F24 16.0 4.52 -9.31 -1.33 0
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302455 124361808 1 NO3H23C29 AB3C23D29 -4.12 3.9 -8.14 -1.36 0
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302456 124361809 1 FO2N4H13C16 AB2C4D13E16 -38.76 4.87 -9.14 -1.53 0
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302457 124361812 1 N3O4C15H21 A3B4C15D21 -172.95 4.22 -8.4 -0.04 0
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302458 124361813 1 ClNSO6C25H28 ABCD6E25F28 -225.48 9.04 -9.16 -1.12 0
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302460 124361837 1 SN3O4C17H25 AB3C4D17E25 -154.26 4.14 -8.81 -0.16 0
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302461 124361838 1 FN3O5C20H26 AB3C5D20E26 -267.04 8.62 -8.82 -0.15 0
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302462 124361839 1 SN3O4C22H25 AB3C4D22E25 -112.29 6.29 -8.28 -0.06 0
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302463 124361851 1 FN3O5C18H22 AB3C5D18E22 -257.41 8.23 -8.79 -0.11 0
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302464 124361859 1 FN3O3C22H30 AB3C3D22E30 -187.29 7.37 -8.76 -0.1 0
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302465 124361863 2 ON2C11H12 AB2C11D12 -5.49 4.72 -9.37 -1.3 0
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302466 124361864 1 N2O5C15H26 A2B5C15D26 -250.98 6.03 -9.47 0.51 0
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302467 124361866 1 O2N3C24H29 A2B3C24D29 -59.46 6.01 -9.19 0.12 0
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302468 124361869 1 ClN3O4C19H22 AB3C4D19E22 -155.42 4.9 -8.73 -0.74 0
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302469 124361874 1 N3O4C25H35 A3B4C25D35 -200.69 3.95 -9.4 0.1 0
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302470 124361877 1 N3O5C18H25 A3B5C18D25 -197.76 5.76 -8.46 -0.09 0
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302471 124361880 1 N3O3C25H25 A3B3C25D25 -53.95 1.52 -8.41 -0.16 0
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302472 124361883 2 N2O2H8C9 A2B2C8D9 -72.39 5.94 -9.34 -1.37 0
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302473 124361886 1 N3O4C23H33 A3B4C23D33 -182.99 7.02 -8.17 0.18 0
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302474 124361889 1 N2O3C12H20 A2B3C12D20 -154.0 3.54 -9.65 -0.04 0
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302475 124361903 1 ClFON3H17C27 ABCD3E17F27 78.57 4.06 -8.4 -1.11 0
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302476 124361912 1 OF3N3H28C32 AB3C3D28E32 -89.71 6.07 -8.78 -1.02 0
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302477 124361915 1 FO2N3H16C25 AB2C3D16E25 57.11 2.76 -8.74 -1.05 0
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302478 124361916 1 FO2N3H16C25 AB2C3D16E25 55.62 4.13 -8.44 -1.05 0
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302479 124361920 1 F3O3N4H13C22 A3B3C4D13E22 -112.07 5.73 -9.83 -1.43 0
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302480 124361922 1 FO2N3H20C28 AB2C3D20E28 44.1 3.14 -8.66 -0.77 0
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302481 124361930 1 FOSN3H16C25 ABCD3E16F25 132.49 5.74 -9.22 -0.93 0
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302482 124361932 1 OSN3H19C29 ABC3D19E29 159.31 3.48 -8.53 -0.94 0
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302483 124361935 1 ON3H15C21 AB3C15D21 110.5 5.55 -8.35 -1.01 1
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302484 124361938 1 Cl2N2O3H19C27 A2B2C3D19E27 -1.13 6.39 0.0 0.0 0
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302485 124361939 1 F3N3O4H14C20 A3B3C4D14E20 -186.0 7.27 -9.57 -1.18 0
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302486 124361941 3 NOC11H11 ABC11D11 -2.16 7.09 -8.31 -0.36 0
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302487 124361943 1 O2N6H24C27 A2B6C24D27 91.49 0.85 -9.19 -1.08 0
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302488 124361944 1 O2N6H20C21 A2B6C20D21 68.15 0.35 -9.09 -1.06 0
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302493 124361955 1 FON2C17H17 ABC2D17E17 -6.74 2.95 -9.12 -0.93 0
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302494 124361960 1 SN5O5C26H31 AB5C5D26E31 -119.16 9.59 -8.88 -1.06 0
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302495 124361961 1 FSN2O2C19H21 ABC2D2E19F21 -69.87 3.68 -8.51 -0.47 0
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302498 124361968 1 BrNO3H20C22 ABC3D20E22 -59.55 3.08 -8.52 -0.58 0
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302499 124361971 1 FN2O3H21C28 AB2C3D21E28 6.53 6.82 -8.48 -0.66 0
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302500 124361974 2 N2O3C12H13 A2B3C12D13 -229.53 12.12 -9.71 -1.42 0
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302501 124361978 1 SN5O6C22H27 AB5C6D22E27 -185.08 6.09 -9.61 -0.65 0
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302502 124361987 1 N4O5C28H32 A4B5C28D32 -154.51 2.81 -8.8 -0.37 0
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302504 124361989 2 NO2C12H16 AB2C12D16 -98.23 3.09 -8.14 -0.13 0
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302506 124361993 1 OC13H24 AB13C24 -84.16 2.47 -9.18 1.53 0
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302507 124361994 1 OC13H24 AB13C24 -86.43 1.55 -9.05 1.67 0
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302509 124362006 1 NOC19H19 ABC19D19 61.12 1.81 -9.11 -0.11 0
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302510 124362019 1 NO2C16H27 AB2C16D27 -123.98 2.0 -8.6 0.96 0
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302511 124362022 1 ClNO2C17H22 ABC2D17E22 -86.89 3.34 -8.65 -0.73 0
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302512 124362025 1 NO6C16H27 AB6C16D27 -289.44 2.78 -9.74 0.82 0
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302513 124362028 1 NO3C28H47 AB3C28D47 -184.74 7.81 -9.31 0.71 0