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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398890 135036091 2 O2C9H9 A2B9C9 -108.09 4.39 -8.7 -0.16 -1
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398891 135036093 1 ClNC7H7 ABC7D7 23.04 3.7 0.0 0.0 0
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398892 135036098 1 P2O3H28C30 A2B3C28D30 -91.61 4.07 -9.79 -0.22 0
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398893 135036115 1 NOSC9H19 ABCD9E19 -74.32 2.57 -9.24 0.12 0
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398894 135036119 1 O9H26C28 A9B26C28 -301.23 5.59 -9.99 -0.85 0
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398895 135036120 1 O9H26C28 A9B26C28 -303.57 3.59 -9.88 -0.71 0
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398896 135036122 1 O9H26C28 A9B26C28 -302.4 2.69 -10.0 -0.85 0
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398897 135036134 1 NSO5C24H27 ABC5D24E27 -185.04 1.7 -9.65 -0.66 1
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398898 135036138 1 NO3C19H20 AB3C19D20 -87.66 3.41 0.0 0.0 0
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398899 135036139 1 NOSC23H23 ABCD23E23 18.83 3.32 -8.71 -0.22 0
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398900 135036154 1 Si2O3N4C22H38 A2B3C4D22E38 -171.76 7.75 -9.04 -1.25 -1
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398901 135036157 1 NYO5H22C27 ABC5D22E27 -84.12 8.74 -5.72 -1.54 0
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398902 135036166 1 BrNO3H14C17 ABC3D14E17 117.24 6.11 -9.79 -1.43 0
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398904 135036171 1 NO3C5H7 AB3C5D7 -101.05 4.14 -10.38 0.17 0
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398905 135036177 1 NC15H19 AB15C19 3.03 1.27 -7.91 0.39 0
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398907 135036188 1 ON2C15H16 AB2C15D16 14.79 3.15 -8.57 -0.13 0
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398908 135036198 1 O2N3H11C16 A2B3C11D16 107.43 5.4 -10.22 -1.54 0
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398909 135036200 1 NO2H29C37 AB2C29D37 59.03 2.98 -8.59 -0.62 0
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398911 135036213 1 P2N9O15C27H31 A2B9C15D27E31 -569.25 11.42 -9.45 -2.38 0
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398912 135036244 6 OH11C12 AB11C12 524.6 5.97 -5.58 -3.18 0
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398913 135036255 1 N2O3C10H10 A2B3C10D10 -43.84 2.95 -9.78 -0.66 0
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398914 135036265 1 ClNOSC17H18 ABCDE17F18 -18.44 2.05 -8.76 -0.26 0
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398915 135036267 1 BrNOSC17H18 ABCDE17F18 -6.34 3.16 -8.79 -0.33 0
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398916 135036270 1 O7C12H18 A7B12C18 -333.71 2.27 -10.42 0.48 0
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398917 135036271 2 O3C10H14 A3B10C14 -277.95 2.45 -8.77 0.37 0
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398918 135036272 1 ON2H18C20 AB2C18D20 30.15 5.29 -8.46 -0.09 0
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398919 135036273 1 NOC19H23 ABC19D23 -21.14 2.37 -8.33 0.14 0
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398920 135036287 2 NC7H11 AB7C11 6.07 1.36 -7.56 0.71 1
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398921 135036289 1 N2O2C6H9 A2B2C6D9 -7.45 1.68 0.0 0.0 0
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398922 135036311 2 OC14H15 AB14C15 -57.17 1.34 -7.93 0.27 0
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398924 135036355 1 NO2C10H17 AB2C10D17 -108.0 5.58 -9.25 1.26 0
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398925 135036382 1 SnO5C46H62 AB5C46D62 -136.14 3.47 -9.03 0.1 0
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398926 135036385 7 OC3H4 AB3C4 -321.98 3.31 -9.22 0.36 0
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398927 135036391 1 BrSN2O2H21C24 ABC2D2E21F24 28.7 3.92 -8.88 -0.66 0
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398928 135036395 1 SN2O2H18C22 AB2C2D18E22 48.18 5.26 -8.76 -0.7 0
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398929 135036398 1 SN2O2H16C17 AB2C2D16E17 11.19 4.89 -8.86 -0.53 0
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398930 135036402 1 NSO2C9H17 ABC2D9E17 -74.07 5.14 -9.4 0.41 0
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398931 135036403 1 NSO2C19H23 ABC2D19E23 -40.78 5.31 -9.21 -0.26 0
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398932 135036405 1 NO3C21H31 AB3C21D31 -118.35 5.15 -9.14 -0.66 0
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398933 135036417 1 ClSN3O4C24H24 ABC3D4E24F24 -69.9 7.76 -9.38 -1.45 0
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398934 135036422 1 ClSN3O3C22H24 ABC3D3E22F24 -48.5 7.81 -9.3 -1.34 0
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398935 135036430 1 N3O6C25H31 A3B6C25D31 -208.82 5.07 -9.02 -0.17 0
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398936 135036437 2 FOH11C14 ABC11D14 -98.35 2.26 -7.91 -0.38 0
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398938 135036448 1 O2C21H22 A2B21C22 -41.26 1.93 -9.07 0.14 0
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398939 135036449 1 N2O10C41H50 A2B10C41D50 -332.81 1.51 -8.79 -1.9 0
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398940 135036460 1 ClNO3H16C18 ABC3D16E18 -80.02 5.71 -8.9 -1.11 0
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398941 135036463 1 O5C22H26 A5B22C26 -131.68 3.52 -9.62 -0.63 0
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398942 135036481 1 BN2O5C26H31 AB2C5D26E31 -248.92 2.72 -8.2 0.17 0
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398943 135036493 1 ClNO3H20C24 ABC3D20E24 -65.78 3.8 -9.39 -0.58 0
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398944 135036494 1 NO4C22H25 AB4C22D25 -135.49 3.7 -9.02 -0.05 0
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398945 135036497 1 NO3C18H25 AB3C18D25 -129.23 0.69 -9.56 -0.18 0
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398946 135036500 1 NO8H25C27 AB8C25D27 -221.81 3.67 -8.74 -0.42 0
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398947 135036510 1 IO2Si2C26H51 AB2C2D26E51 -223.54 2.53 -8.72 -0.68 0
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398948 135036514 3 OH6C7 AB6C7 -47.73 4.5 -9.1 -1.54 0
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398949 135036527 1 ClON3H16C22 ABC3D16E22 91.32 3.45 -9.11 -0.83 0
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398950 135036535 1 ON4H16C22 AB4C16D22 109.63 4.71 -9.7 -1.03 0
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398951 135036536 1 BrON4H13C21 ABC4D13E21 122.13 2.65 -9.91 -1.14 0
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398952 135036542 1 N2O3C10H12 A2B3C10D12 -76.52 6.97 -8.27 -1.16 0
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398953 135036545 1 FC13H15 AB13C15 -34.34 1.43 -9.35 0.03 0
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398954 135036547 1 OC14H18 AB14C18 -32.92 2.46 -9.05 0.0 0
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398955 135036557 1 NO2C21H25 AB2C21D25 -70.18 2.21 -8.78 -0.34 0
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398957 135036593 1 ClO2C5H9 AB2C5D9 -108.89 4.3 -10.17 0.41 -1
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398958 135036606 1 OH7C9 AB7C9 18.99 0.68 0.0 0.0 0
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398959 135036616 1 C15H32 A15B32 -79.65 0.07 -10.42 4.06 0
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398961 135036624 1 OC18H18 AB18C18 -1.01 4.38 -9.1 -0.5 0
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398962 135036630 2 OC8H10 AB8C10 -55.65 1.84 -9.59 0.17 0
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398963 135036638 1 NO4C14H15 AB4C14D15 -132.04 6.15 -9.82 -0.74 0
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398964 135036639 1 SN2O3C7H10 AB2C3D7E10 -74.37 2.9 -9.74 -0.91 0
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398965 135036641 1 NO3C12H15 AB3C12D15 -127.06 1.91 -10.19 -0.13 -1
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398966 135036645 1 NO4C12H12 AB4C12D12 -120.8 7.89 0.0 0.0 0
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398967 135036648 1 NSiC14H31 ABC14D31 -53.99 1.2 -8.74 1.6 0
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398969 135036669 1 O2S2C7H7 A2B2C7D7 34.22 0.32 0.0 0.0 0
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398970 135036674 1 SnO2F3C11H19 AB2C3D11E19 -254.46 4.23 -9.65 -0.3 0
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398971 135036682 1 OC15H30 AB15C30 -88.87 1.59 -8.41 1.51 0
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398973 135036698 1 O3C14H24 A3B14C24 -165.0 3.76 -10.12 -0.44 0