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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396631 135028950 1 INOF3H5C7 ABCD3E5F7 -103.29 4.95 -9.97 -1.6 0
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396632 135028954 1 O5H28C47 A5B28C47 -7.75 8.88 -7.75 -1.34 0
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396633 135028963 1 ClNC8H12 ABC8D12 -0.11 2.73 -9.4 0.44 0
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396634 135028964 1 FSN2O2H23C27 ABC2D2E23F27 2.85 3.29 -8.23 -0.59 0
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396635 135028965 2 OC8H8 AB8C8 -40.65 1.89 -8.9 -0.06 0
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396636 135028967 1 ON5C12H13 AB5C12D13 60.84 4.41 -8.74 -0.37 0
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396637 135028969 1 OSiC27H34 ABC27D34 -53.21 2.47 -8.88 0.16 0
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396638 135028971 1 O11C20H24 A11B20C24 -455.56 4.82 -10.45 -1.12 0
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396639 135028973 1 O13C22H28 A13B22C28 -531.91 8.87 -9.85 -0.9 0
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396640 135028974 2 O6C11H14 A6B11C14 -510.34 1.57 -9.14 0.12 0
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396641 135028975 1 O9C37H40 A9B37C40 -287.02 5.12 -9.18 0.02 0
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396642 135028976 1 O11C35H40 A11B35C40 -384.73 9.18 -9.02 -0.94 0
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396643 135028977 1 OSC14H22 ABC14D22 -41.92 5.55 -8.27 0.84 0
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396644 135028978 1 SN2O3C30H34 AB2C3D30E34 -12.59 4.1 -8.79 -0.35 0
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396645 135028980 1 OSH16C20 ABC16D20 66.0 4.2 -8.5 -0.2 0
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396646 135028981 1 SO2C13H14 AB2C13D14 -52.44 1.95 -9.25 -0.96 0
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396647 135028982 1 NO3C11H15 AB3C11D15 -105.44 2.01 -9.14 -0.29 0
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396648 135028983 1 FO7C22H25 AB7C22D25 -289.95 4.86 -8.7 -0.74 0
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396649 135028984 1 ON2C24H28 AB2C24D28 35.29 5.14 -8.55 -0.41 0
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396650 135028985 2 BrH13C24 AB13C24 275.18 5.43 -7.97 -2.39 0
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396651 135028986 1 NSiO4C15H27 ABC4D15E27 -184.76 3.06 -9.24 0.57 0
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396652 135028987 1 SO2N4C19H24 AB2C4D19E24 34.12 7.52 -9.0 -0.61 0
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396653 135028988 1 SO2H12C18 AB2C12D18 12.49 2.96 -8.83 -1.33 0
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396654 135028989 1 INOSF3H3C8 ABCDE3F3G8 -86.4 5.31 -9.64 -1.68 1
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396655 135028991 1 N2C8H19 A2B8C19 27.21 1.36 0.0 0.0 0
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396656 135028992 2 NC4H9 AB4C9 5.11 2.9 -7.99 1.52 0
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396657 135028993 1 N2C29H30 A2B29C30 80.27 3.21 -8.03 0.18 0
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396658 135028994 1 N2C31H34 A2B31C34 69.77 3.95 -8.0 0.25 0
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396659 135028995 1 N2O3C28H28 A2B3C28D28 -13.27 3.96 -7.6 0.07 0
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396660 135028996 1 N2O3C30H32 A2B3C30D32 -28.0 4.45 -7.67 0.09 0
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396661 135028997 1 BrCuHC2F2O2 ABCD2E2F2 -143.0 3.49 0.0 0.0 0
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396662 135028998 2 O2H6C9 A2B6C9 -34.02 4.2 -9.97 -1.46 0
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396663 135028999 1 NO4H9C16 AB4C9D16 47.04 6.81 -10.11 -2.03 0
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396664 135029000 1 N3O4C16H19 A3B4C16D19 -121.2 3.66 -9.25 -0.32 0
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396665 135029002 2 OH6C10 AB6C10 65.55 4.69 -9.27 -1.15 0
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396666 135029004 1 NO3H19C23 AB3C19D23 -18.61 4.6 -8.21 -0.08 0
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396667 135029005 2 O2C5H9 A2B5C9 -186.86 4.06 -9.49 0.51 0
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396668 135029006 1 IH15C16 AB15C16 68.75 1.55 -9.05 -0.87 0
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396669 135029007 1 FOSH9C15 ABCD9E15 -16.49 2.38 -8.99 -1.16 0
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396670 135029008 1 NO4C15H17 AB4C15D17 -115.13 3.73 -9.77 -0.22 0
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396671 135029014 1 O7C26H26 A7B26C26 -214.59 2.42 -8.77 -0.44 0
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396672 135029015 1 O7C26H26 A7B26C26 -213.37 2.53 -8.73 -0.44 0
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396673 135029016 1 FNOH12C19 ABCD12E19 19.83 1.96 -8.99 -1.12 0
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396674 135029018 1 O2H22C25 A2B22C25 -15.94 4.9 -9.12 -0.69 0
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396675 135029020 2 FOC6H6 ABC6D6 -161.53 3.11 -10.32 -0.72 0
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396676 135029022 1 NO4C23H25 AB4C23D25 -141.17 2.82 -8.87 -0.56 0
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396677 135029023 1 N2O3H18C24 A2B3C18D24 -25.48 3.11 -9.32 -1.63 0
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396678 135029024 1 N2O3H16C23 A2B3C16D23 7.01 4.86 -9.14 -1.38 0
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396679 135029025 1 N2O3H20C25 A2B3C20D25 -35.06 3.88 -9.02 -1.47 0
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396680 135029026 1 N4C9H10 A4B9C10 130.3 5.59 -10.19 0.03 0