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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226697 87556927 1 BrNF2O2H14C15 ABC2D2E14F15 -77.1 9.15 -8.92 -1.71 0
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226698 87556932 1 O2S5H10C12 A2B5C10D12 -23.19 7.96 -8.73 -1.5 0
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226699 87556956 3 OC3H6 AB3C6 -165.33 3.14 -10.19 0.47 0
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226700 87556958 1 NO3C9H21 AB3C9D21 -178.54 2.92 -10.24 0.82 0
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226701 87556960 3 OC3H6 AB3C6 -166.08 0.6 -10.34 0.39 0
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226702 87556962 1 SN3O5C21H21 AB3C5D21E21 -114.33 4.96 -8.04 -0.69 0
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226705 87556970 1 NOC13H21 ABC13D21 -38.44 2.92 -9.32 0.38 0
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226706 87556972 1 H28C37 A28B37 182.7 1.63 -7.9 -1.55 0
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226707 87556973 2 O2C12H23 A2B12C23 -255.61 3.76 -10.19 0.51 0
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226708 87556980 1 SO2C10H12 AB2C10D12 -54.07 4.65 -8.98 -0.31 0
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226709 87557018 1 NCl2O2C10H15 AB2C2D10E15 -111.34 4.08 -9.99 -0.61 0
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226710 87557019 1 N2O5H28C32 A2B5C28D32 -84.56 8.14 -9.17 -0.99 0
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226711 87557025 1 ON2C12H22 AB2C12D22 -51.68 2.62 -9.62 0.67 0
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226712 87557026 1 SCl2O3N4H22C24 AB2C3D4E22F24 -6.26 6.09 -9.08 -0.97 0
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226713 87557032 1 N3O4C7H13 A3B4C7D13 -178.35 8.77 -9.87 -0.39 0
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226715 87557036 2 ClO3C39H62 AB3C39D62 -426.62 7.92 -10.03 -0.99 0
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226716 87557054 1 NPO3C20H42 ABC3D20E42 -255.09 8.66 -8.91 1.7 0
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226717 87557056 1 PSN4O5C20H23 ABC4D5E20F23 -206.77 5.85 -8.73 -0.8 0
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226718 87557068 1 NO2C11H17 AB2C11D17 -42.72 3.68 -7.85 -0.24 -2
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226719 87557817 1 SiZrCl2C25H32 ABC2D25E32 0.48 3.14 -7.46 -0.9 0
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226720 87557818 2 O2C4H5 A2B4C5 -160.44 9.13 -10.66 -0.34 0
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226721 87557833 1 OSN4C14H20 ABC4D14E20 -25.16 2.12 -8.68 -0.11 0
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226722 87557842 1 N2O4H14C17 A2B4C14D17 -63.57 2.99 -9.38 -0.2 1
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226723 87557843 1 N2F3O5C27H36 A2B3C5D27E36 -332.05 13.12 0.0 0.0 0
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226724 87557845 1 Br2O4C11H18 A2B4C11D18 -202.96 4.25 -10.59 -1.46 1