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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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13678 396863 1 O2N5H17C20 A2B5C17D20 77.38 0.48 -9.25 -1.27 0
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13679 396866 1 ClO2N5H16C20 AB2C5D16E20 67.97 5.19 -9.11 -1.4 0
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13680 396870 1 ClN3O3C16H20 AB3C3D16E20 -121.08 8.8 -8.52 -0.39 0
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13681 396873 1 F3N3O3C17H20 A3B3C3D17E20 -278.49 8.16 -8.84 -0.33 0
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13682 396875 1 FN3O4C16H20 AB3C4D16E20 -197.4 7.87 -8.49 -0.38 0
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13683 396876 1 ClN3O4C16H20 AB3C4D16E20 -155.05 5.71 -8.82 -0.53 0
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13684 396878 1 N3O4C13H23 A3B4C13D23 -187.93 1.89 -9.16 -0.02 0
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13685 396879 1 ClO2N3C14H14 AB2C3D14E14 -60.68 9.81 -9.05 -0.39 0
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13686 396887 2 ClO3C13H16 AB3C13D16 -241.51 1.74 -8.85 -0.31 0
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13687 396890 1 Cl2O7C26H28 A2B7C26D28 -257.63 7.02 -9.2 -0.93 0
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13688 396903 1 SO2N4H18C23 AB2C4D18E23 42.16 8.18 -9.3 -0.99 0
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13689 396911 1 SN2O5C10H16 AB2C5D10E16 -184.2 4.18 -10.3 -1.13 0
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13690 396913 1 O4N10H33C41 A4B10C33D41 249.11 7.17 0.0 0.0 1
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13691 396916 1 ON5C24H25 AB5C24D25 104.4 4.56 -7.92 -0.95 0
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13692 396929 1 NOSC7H7 ABCD7E7 -2.6 1.85 -9.43 -0.8 0
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13693 396938 1 OSCl2N2C12H14 ABC2D2E12F14 -1.56 2.93 -8.55 -1.17 0
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13694 396948 1 SCl2H2O2C7 AB2C2D2E7 -35.35 2.25 -9.99 -1.6 0
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13695 396953 1 S2N3C10H11 A2B3C10D11 76.88 2.57 -9.08 -0.66 0
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13696 396960 1 O2S2N3H19C24 A2B2C3D19E24 57.77 7.11 -8.54 -1.21 0
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13697 396961 1 SN2O4H16C17 AB2C4D16E17 -39.28 4.31 -9.16 -1.59 0
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13698 396978 1 S2N4O9H24C26 A2B4C9D24E26 -95.2 8.19 -9.07 -2.38 0
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13699 396992 1 N2O3C16H18 A2B3C16D18 -101.97 9.8 -8.85 -0.36 0
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13700 397004 1 SN2O6C28H32 AB2C6D28E32 -163.06 6.12 -8.28 -0.64 0
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13701 397051 1 ClO3S3N4H11C13 AB3C3D4E11F13 -40.72 3.68 -9.0 -1.28 0
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13702 397053 1 Cl2O3S3N4H14C19 A2B3C3D4E14F19 -35.64 3.38 -8.87 -1.39 0
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13703 397055 1 ClO2S2N3C17H18 AB2C2D3E17F18 -21.65 4.72 -8.98 -0.98 0
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13704 397064 1 ON8C11H18 AB8C11D18 54.84 7.39 -8.59 -0.29 0
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13705 397068 1 S2N3O4F6C14H15 A2B3C4D6E14F15 -380.64 6.7 -8.59 -1.4 0
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13706 397092 1 N2O3C20H22 A2B3C20D22 -97.22 8.82 -8.93 -1.28 0
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13707 397095 2 ClNOH6C10 ABCD6E10 4.59 2.6 -8.49 -1.9 0
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13708 397098 1 FN2O2H17C23 AB2C2D17E23 -13.56 4.15 -8.9 -1.36 0
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13709 397099 1 N2O2F3H17C24 A2B2C3D17E24 -129.14 4.31 -9.24 -1.41 0
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13710 397100 1 N2O2F3H17C24 A2B2C3D17E24 -129.3 7.0 -9.25 -1.47 0
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13711 397103 1 ON3C13H13 AB3C13D13 9.37 5.27 -8.8 0.03 0
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13712 397108 1 ON3H9C14 AB3C9D14 170.28 8.69 -8.71 -1.75 0
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13713 397130 1 PSN6O11C49H83 ABC6D11E49F83 -622.99 9.19 -9.51 -0.99 0
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13714 397139 1 S2N3O9C37H37 A2B3C9D37E37 -238.22 5.3 -8.49 -0.72 0
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13715 397151 1 OSCl2N2H6C10 ABC2D2E6F10 33.32 3.46 -9.57 -1.54 0
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13716 397166 1 N3O4C23H29 A3B4C23D29 -173.09 4.8 -8.46 -0.06 0
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13717 397168 1 N4O4C29H34 A4B4C29D34 -146.6 1.01 -8.54 -0.15 0
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13718 397169 1 N3O3C25H27 A3B3C25D27 -80.58 3.44 -8.56 -0.19 0
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13719 397189 1 SN2O4C20H36 AB2C4D20E36 -245.9 4.32 -8.7 0.39 0
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13720 397217 1 ClS2N4O4H19C26 AB2C4D4E19F26 3.62 6.92 -8.8 -1.14 0
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13721 397223 1 ClS3N4O4H17C24 AB3C4D4E17F24 8.51 6.63 -8.84 -1.28 0
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13722 397225 1 BrS3N4O4H19C26 AB3C4D4E19F26 -7.71 6.1 -8.98 -1.16 0
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13723 397226 1 BrS3N4O4H19C26 AB3C4D4E19F26 -7.55 3.72 -8.96 -1.09 0
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13724 397227 1 S3N4O5H20C26 A3B4C5D20E26 -54.4 5.47 -8.66 -1.0 0
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13725 397229 1 S3N4O5H22C27 A3B4C5D22E27 -52.85 6.49 -8.54 -0.95 0
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13726 397247 1 S3N4O4H16C19 A3B4C4D16E19 -60.7 4.21 -9.02 -0.89 0
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13727 397249 1 ClOS2N4H15C19 ABC2D4E15F19 59.14 2.32 -8.8 -0.81 0