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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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172730 75544913 1 SN3O3C28H29 AB3C3D28E29 -68.19 8.42 -9.04 -0.23 1
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172731 75544951 1 N4O4C30H31 A4B4C30D31 -103.86 2.88 0.0 0.0 0
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172732 75545182 1 FN4O4C24H33 AB4C4D24E33 -247.7 6.74 -8.88 -0.23 0
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172733 75545218 2 N2O2C13H19 A2B2C13D19 -211.74 3.35 -8.52 -0.16 0
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172734 75545279 1 F2N3O3C26H29 A2B3C3D26E29 -207.41 9.76 -8.87 -0.47 0
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172735 75545318 1 FN4O4C27H39 AB4C4D27E39 -261.68 4.97 -8.81 -0.24 0
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172736 75545512 1 SN4O4C28H36 AB4C4D28E36 -166.33 4.3 -8.86 -0.32 1
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172737 75545585 1 FN4O4H26C27 AB4C4D26E27 -145.0 4.9 0.0 0.0 0
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172738 75545620 1 FN3O3C28H34 AB3C3D28E34 -168.43 7.63 -9.14 -0.43 0
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172739 75545621 1 N3O5C28H33 A3B5C28D33 -182.23 11.44 -9.06 -0.88 1
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172740 75545643 1 N4O6H23C26 A4B6C23D26 -147.52 4.77 0.0 0.0 0
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172741 75545838 1 SO3N5C27H29 AB3C5D27E29 -47.37 2.74 -8.69 -0.63 0
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172742 75546014 1 SN3O3C24H27 AB3C3D24E27 -48.77 3.5 -8.66 -1.47 0
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172743 75546015 1 SN3O4C23H25 AB3C4D23E25 -59.36 5.17 -9.26 -1.39 0
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172744 75546016 1 ClSN3O4C22H22 ABC3D4E22F22 -66.53 8.4 -9.36 -1.42 0
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172745 75547458 1 O5N6C24H34 A5B6C24D34 -157.07 2.34 -9.53 -0.42 0
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172746 75547459 1 O4N6C25H34 A4B6C25D34 -125.41 5.64 -9.33 -0.53 0
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172747 75547460 1 O4N6C27H38 A4B6C27D38 -161.02 5.56 -8.79 -0.22 0
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172748 75547791 1 O4N6C25H34 A4B6C25D34 -133.82 7.71 -9.12 -0.21 0
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172749 75547911 1 O4N5C29H37 A4B5C29D37 -118.82 6.11 -8.79 0.01 0
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172750 75547912 1 ClO4N5C23H30 AB4C5D23E30 -146.06 3.74 -9.45 -1.03 0
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172751 75547913 1 FO4N5C23H30 AB4C5D23E30 -184.57 3.55 -9.3 -1.17 0
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172752 75547914 1 ClO3N5C23H30 AB3C5D23E30 -106.7 9.37 -9.33 -0.65 0
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172753 75548083 1 O4N5C25H35 A4B5C25D35 -150.78 2.75 -9.21 -0.8 0
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172754 75548134 1 FO3N5C28H34 AB3C5D28E34 -127.12 3.81 -9.48 -0.44 0
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172755 75548135 1 ClO3N5C28H34 AB3C5D28E34 -94.78 5.64 -9.62 -0.42 0
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172756 75548136 1 FO3N5C28H34 AB3C5D28E34 -134.16 5.47 -9.1 -0.36 0
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172757 75548156 1 O3N5C16H27 A3B5C16D27 -130.81 5.21 -9.52 0.04 0
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172758 75548416 2 O2N3C14H21 A2B3C14D21 -180.68 1.84 -8.73 -0.38 0
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172759 75548515 1 O4N6C23H24 A4B6C23D24 -21.55 3.07 -9.33 -1.34 1
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172760 75548725 1 O4N6C21H25 A4B6C21D25 -44.67 2.45 0.0 0.0 1
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172761 75548726 1 O5N7C20H24 A5B7C20D24 -62.78 2.26 0.0 0.0 1
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172762 75548727 1 O4N7C22H28 A4B7C22D28 -40.28 3.97 0.0 0.0 0
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172763 75548869 1 ClN2O3C17H21 AB2C3D17E21 -99.9 8.11 -9.55 -1.26 0
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172764 75549150 1 O4N5C27H31 A4B5C27D31 -66.47 7.14 -8.18 -0.21 0
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172765 75549432 1 FOSN4C20H21 ABCD4E20F21 -4.29 3.39 -8.64 -0.42 0
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172766 75549489 1 OS2F3N4H15C17 AB2C3D4E15F17 -97.79 2.48 -8.85 -0.81 2
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172767 75549818 1 N4O6C23H26 A4B6C23D26 -192.94 9.94 -8.32 -0.9 2
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172768 75549819 1 O3N4C19H26 A3B4C19D26 -113.15 10.34 -8.26 -0.66 2
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172769 75549820 1 O3N4C24H28 A3B4C24D28 -80.71 11.14 -8.35 -0.64 2
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172770 75549872 1 FN4O5C26H29 AB4C5D26E29 -220.75 8.81 -8.38 -0.75 2
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172771 75549873 1 SO3N4C21H24 AB3C4D21E24 -72.27 11.62 -8.3 -1.06 2
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172772 75549874 1 ClN4O4C23H25 AB4C4D23E25 -121.83 11.18 -8.21 -0.96 2
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172773 75549886 1 SN3O5C25H25 AB3C5D25E25 -128.03 5.65 -8.53 -0.93 0
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172774 75550159 1 FN3O5C28H32 AB3C5D28E32 -204.28 9.68 -9.53 -0.36 0
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172775 75550561 4 NOC5H7 ABC5D7 -111.95 2.97 -8.27 0.08 0
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172776 75551077 1 FS2N4O5C24H29 AB2C4D5E24F29 -203.04 2.53 -8.95 -0.36 0
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172777 75551078 1 ClS2F3N3O4H17C19 AB2C3D3E4F17G19 -281.46 8.27 -9.48 -1.1 0
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172778 75551236 1 BrO2N5C22H26 AB2C5D22E26 -15.4 5.22 -8.93 -0.75 0
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172779 75551237 1 ClO2N5C22H26 AB2C5D22E26 -35.75 5.01 -8.89 -0.23 0